Mrv1533004231521162D 54 60 0 0 0 0 999 V2000 -0.4733 -3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 -5.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 -6.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 -6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -5.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -8.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -8.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -7.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -7.3954 0.0000 O 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 2 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 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 20 21 1 0 0 0 0 21 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 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 21 28 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 19 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 15 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 9 39 1 0 0 0 0 14 39 1 0 0 0 0 39 40 1 0 0 0 0 11 41 1 0 0 0 0 6 41 1 0 0 0 0 41 42 1 0 0 0 0 2 42 1 0 0 0 0 6 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 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 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 46 53 1 0 0 0 0 53 54 1 0 0 0 0 M END > NP0307744 > NP-MRD > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OCC(O)C(O)C1O > InChI=1S/C41H64O13/c1-36(2)14-16-41(35(50)54-33-29(46)26(43)22(42)19-51-33)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-30(47)27(44)28(45)31(53-34)32(48)49/h8,21-31,33-34,42-47H,9-19H2,1-7H3,(H,48,49) > FQQHBSIHBIECLU-UHFFFAOYSA-N > C41H64O13 > 764.95 > 764.434692121 > 12 > 118 > 83.21230389594149 > 0 > 7 > 0 > 0 > 6-[(4,4,6a,6b,11,11,14b-heptamethyl-8a-{[(3,4,5-trihydroxyoxan-2-yl)oxy]carbonyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 3.64 > 3.5065391743333327 > -4.31 > 1 > 7 > -1 > 11.928110894550962 > 3.5941206169723134 > -3.526600778472554 > 212.66999999999996 > 192.37390000000005 > 6 > 0 > 3.77e-02 g/l > 6-[(4,4,6a,6b,11,11,14b-heptamethyl-8a-{[(3,4,5-trihydroxyoxan-2-yl)oxy]carbonyl}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 > NP0307744 > 6-[(4,4,6a,6b,11,11,14b-heptamethyl-8a-{[(3,4,5-trihydroxyoxan-2-yl)oxy]carbonyl}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid $$$$