Mrv1533004171503122D 74 81 0 0 0 0 999 V2000 1.3537 -5.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -4.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 -4.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2974 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -3.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 -3.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2686 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 -5.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8928 -4.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7049 -4.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 -3.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7974 -3.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0777 -2.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8898 -2.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3292 -3.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1413 -3.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6731 -4.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3928 -4.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9246 -5.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6443 -6.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8322 -6.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7368 -5.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2686 -6.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9883 -6.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1762 -7.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8959 -7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0837 -7.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5519 -7.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4277 -8.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1474 -9.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2398 -8.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7716 -8.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5201 -7.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3322 -7.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0171 -4.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -4.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4852 -4.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7655 -3.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0489 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5807 -5.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2368 -4.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 -5.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6413 -2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 -2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1095 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3898 -1.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -3.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -3.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 8 25 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 37 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 51 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 49 58 1 0 0 0 0 58 59 1 0 0 0 0 47 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 42 62 1 0 0 0 0 62 63 1 0 0 0 0 40 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 35 66 1 0 0 0 0 66 67 1 0 0 0 0 33 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 28 70 1 0 0 0 0 70 71 1 0 0 0 0 3 72 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 M END > CHEM026129 > chemdb > CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O)C(C)C > InChI=1S/C53H90O21/c1-7-25(23(2)3)9-8-24(4)29-12-13-30-28-11-10-26-18-27(14-16-52(26,5)31(28)15-17-53(29,30)6)67-48-42(64)38(60)45(33(20-55)69-48)73-50-44(66)40(62)47(35(22-57)71-50)74-51-43(65)39(61)46(34(21-56)70-51)72-49-41(63)37(59)36(58)32(19-54)68-49/h10,23-25,27-51,54-66H,7-9,11-22H2,1-6H3 > KBVQOCPZFWKKPN-UHFFFAOYSA-N > C53H90O21 > 1063.282 > 1062.597459918 > 21 > 164 > 114.14868655216458 > 0 > 13 > 0 > 0 > 2-{[6-({6-[(6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 1.37 > 0.7611342093333358 > -3.68 > 1 > 8 > 0 > 12.093420914885314 > 11.674309991232416 > -3.678621625224115 > 336.83000000000004 > 259.4193000000001 > 18 > 0 > 2.22e-01 g/l > 2-{[6-({6-[(6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Cellotetraosylsitosterol $$$$