Mrv0541 02241219282D 78 88 0 0 0 0 999 V2000 1.2916 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8315 -0.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 0.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 -0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 -0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 1.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 1.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 1.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 2.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 3.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1436 3.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1436 4.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 4.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 4.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 3.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 5.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2884 4.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 3.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 3.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 1.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 -0.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7114 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7114 -2.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -2.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -2.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 -1.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 -2.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -3.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -1.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5712 3.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 3.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0065 1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1642 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 -4.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 -4.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 -3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1121 -3.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 -4.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1121 -4.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 -4.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 -4.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1889 -4.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 -4.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1889 -3.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 -3.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 -4.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 -5.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 -5.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 -5.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 -5.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4264 -4.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 -2.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 -2.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -1.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -2.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 -1.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 -3.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 -0.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 76 1 0 0 0 0 2 3 1 0 0 0 0 2 74 1 0 0 0 0 3 64 1 0 0 0 0 3 78 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 53 1 0 0 0 0 7 50 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 23 2 0 0 0 0 16 17 1 0 0 0 0 16 33 2 0 0 0 0 18 19 1 0 0 0 0 18 45 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 36 37 2 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 2 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 40 41 2 0 0 0 0 41 51 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 54 60 1 0 0 0 0 55 61 2 0 0 0 0 55 65 1 0 0 0 0 56 57 1 0 0 0 0 56 72 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 58 66 1 0 0 0 0 59 60 2 0 0 0 0 59 67 1 0 0 0 0 60 68 1 0 0 0 0 61 62 1 0 0 0 0 61 69 1 0 0 0 0 62 63 2 0 0 0 0 62 70 1 0 0 0 0 63 64 1 0 0 0 0 63 71 1 0 0 0 0 64 65 2 0 0 0 0 65 73 1 0 0 0 0 72 76 1 0 0 0 0 72 77 2 0 0 0 0 73 75 2 0 0 0 0 73 74 1 0 0 0 0 M END > CHEM032540 > chemdb > OC1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1=C(C=C(O)C(O)=C1O)C(=O)OC2C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(C=C(O)C(O)=C2O)C(=O)OCC1O > InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2 > FESAEKUFXJFTFG-UHFFFAOYSA-N > C48H28O30 > 1084.7179 > 1084.066539556 > 24 > 95.36849362308841 > 0 > 18 > 0 > 0 > 10-{2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6(11),7,9-hexaen-14-yl}-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0²,⁷.0¹⁵,²⁰.0²¹,³⁰.0²⁴,²⁹.0²⁸,³³]pentatriaconta-1(27),2,4,6,15(20),16,18,21(30),22,24(29),28(33),34-dodecaene-8,14,26,31-tetrone > 3.03 > 2.9572521133333334 > -2.45 > 0 > 11 > -2 > 5.7941849668774905 > 5.117476566084966 > -4.8154709394293365 > 521.94 > 247.52940000000012 > 1 > 0 > 3.87e+00 g/l > 10-{2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.0⁵,¹⁸.0⁶,¹¹]nonadeca-1(18),2,4,6(11),7,9-hexaen-14-yl}-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.0²,⁷.0¹⁵,²⁰.0²¹,³⁰.0²⁴,²⁹.0²⁸,³³]pentatriaconta-1(27),2,4,6,15(20),16,18,21(30),22,24(29),28(33),34-dodecaene-8,14,26,31-tetrone > 0 > Punicacortein D > 103616-63-3 $$$$