(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8S,8aS,9S,10S,14aR,14bS)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
Molecular Formula:
C43H66O14
InChI: InChI=1/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24u,25u,26-,27+,28+,29+,30+,31-,32+,33+,34+,37-,39+,40+,41-,42-,43+/m1/s1/f/h51H
InChIKey: InChIKey=VEFSVJGWJQPWFS-YZZLLKPIDI
SMILES: CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)COC(=O)C)O
Names:
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8S,8aS,9S,10S,14aR,14bS)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
Registries:
PubChem CID 9811065
PubChem ID 14767042
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