Mrv2104 05272301522D 36 40 0 0 0 0 999 V2000 -3.8416 -0.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -3.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 -3.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -4.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 -2.8268 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0276 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 -0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5961 -3.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -4.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -3.4914 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7601 -1.0659 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 8 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 16 17 1 0 0 0 0 12 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 16 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 20 26 1 0 0 0 0 19 27 1 0 0 0 0 17 28 1 0 0 0 0 13 29 1 0 0 0 0 9 30 1 0 0 0 0 5 30 1 0 0 0 0 30 31 1 0 0 0 0 2 31 1 0 0 0 0 8 32 1 0 0 0 0 5 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 2 36 1 0 0 0 0 M CHG 2 25 -1 35 -1 M END > NP0339744 > NP-MRD > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C([O-])=O)C2C1)C([O-])=O > InChI=1/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/p-2 > IDGXIXSKISLYAC-UHFFFAOYNA-L > C30H44O6 > 500.677 > 500.314886297 > 6 > 80 > 55.939433019882955 > 1 > 2 > -2 > 0 > 2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate > 4.711622425333335 > 0 > 5 > -2 > 4.928323848435747 > 4.282658569011439 > -3.1694008449601303 > 120.72 > 158.3774 > 2 > 0 > 2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate > 0 > NP0339744 > medicagenate $$$$