Mrv0541 05061307562D 62 67 0 0 0 0 999 V2000 -1.3574 6.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 5.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1616 4.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 -2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5195 -0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 -2.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4264 1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4239 1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 3.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8218 4.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 4.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 5.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 3.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 3.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 3.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5256 3.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7135 3.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8106 2.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 5.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1493 3.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 -1.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9877 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 2.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 2.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5544 1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 2.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8953 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 3.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4271 0.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1468 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5693 1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0838 -0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2741 2.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3347 1.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7104 1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 3.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 -1.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -1.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6356 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 1.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2392 0.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4904 0.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6786 2.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 1.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1776 -1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8029 1.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 -0.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -1.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1626 0.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 16 15 1 0 0 0 0 18 17 1 0 0 0 0 23 1 1 0 0 0 0 23 2 1 0 0 0 0 23 13 2 0 0 0 0 24 3 1 0 0 0 0 24 14 1 0 0 0 0 25 4 1 0 0 0 0 26 5 1 0 0 0 0 27 6 1 0 0 0 0 28 15 1 0 0 0 0 29 19 2 0 0 0 0 29 28 1 0 0 0 0 30 19 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 16 1 0 0 0 0 35 24 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 33 1 0 0 0 0 40 37 1 0 0 0 0 41 30 1 0 0 0 0 42 38 1 0 0 0 0 43 39 1 0 0 0 0 44 7 1 0 0 0 0 44 8 1 0 0 0 0 44 29 1 0 0 0 0 44 34 1 0 0 0 0 45 9 1 0 0 0 0 45 17 1 0 0 0 0 45 28 1 0 0 0 0 45 41 1 0 0 0 0 46 10 1 0 0 0 0 46 18 1 0 0 0 0 46 35 1 0 0 0 0 47 11 1 0 0 0 0 47 20 1 0 0 0 0 47 41 1 0 0 0 0 47 46 1 0 0 0 0 48 25 2 0 0 0 0 49 26 2 0 0 0 0 50 27 2 0 0 0 0 51 30 1 0 0 0 0 52 36 1 0 0 0 0 53 37 1 0 0 0 0 54 38 1 0 0 0 0 55 39 1 0 0 0 0 56 22 1 0 0 0 0 56 25 1 0 0 0 0 57 21 1 0 0 0 0 57 42 1 0 0 0 0 58 26 1 0 0 0 0 58 32 1 0 0 0 0 59 27 1 0 0 0 0 59 40 1 0 0 0 0 60 31 1 0 0 0 0 60 43 1 0 0 0 0 61 33 1 0 0 0 0 61 43 1 0 0 0 0 62 34 1 0 0 0 0 62 42 1 0 0 0 0 M END > CHEM028622 > chemdb > CC(CCC=C(C)C)C1C(CC2(C)C3C(O)C=C4C(CCC(OC5OCC(OC(C)=O)C(O)C5O)C4(C)C)C3(C)CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O > InChI=1S/C47H74O15/c1-23(2)13-12-14-24(3)35-31(60-43-39(55)37(53)40(59-27(6)50)33(61-43)22-56-25(4)48)20-47(11)41-30(51)19-29-28(45(41,9)17-18-46(35,47)10)15-16-34(44(29,7)8)62-42-38(54)36(52)32(21-57-42)58-26(5)49/h13,19,24,28,30-43,51-55H,12,14-18,20-22H2,1-11H3 > CASUNJDNTPMYBY-UHFFFAOYSA-N > C47H74O15 > 879.0815 > 878.502771698 > 12 > 97.14855277380545 > 0 > 5 > 0 > 0 > [3-(acetyloxy)-6-[(5-{[5-(acetyloxy)-3,4-dihydroxyoxan-2-yl]oxy}-9-hydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl)oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate > 4.17 > 3.700748093333332 > -4.86 > 1 > 6 > 0 > 12.55345546138344 > 11.972128602880293 > -0.6144140618654671 > 216.9699999999999 > 224.1609 > 15 > 0 > 1.22e-02 g/l > [3-(acetyloxy)-6-[(5-{[5-(acetyloxy)-3,4-dihydroxyoxan-2-yl]oxy}-9-hydroxy-1,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl)oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate > 0 > Hebevinoside VIII > 101365-10-0 $$$$