(2S,4aR,6aR,6aS,6bR,10S,12aS)-10-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Molecular Formula:
C36H54O11
InChI: InChI=1/C36H54O11/c1-31(2)20-9-12-35(6)21(33(20,4)11-10-22(31)46-28-25(39)23(37)24(38)26(47-28)27(40)41)8-7-18-19-17-32(3,29(42)43)13-15-36(19,30(44)45)16-14-34(18,35)5/h7,19-26,28,37-39H,8-17H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)/t19u,20u,21-,22+,23+,24+,25-,26+,28-,32+,33+,34-,35-,36+/m1/s1/f/h40,42,44H
InChIKey: InChIKey=BYJVWDAXNXZXRQ-SSYHTUFNDW
SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)O)C)CC=C5C3(CCC6(C5CC(CC6)(C)C(=O)O)C(=O)O)C)C)C
Names:
(2S,4aR,6aR,6aS,6bR,10S,12aS)-10-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Registries:
PubChem CID 10009582
PubChem ID 14989401
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