[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl] (4aR,5R,6aR,6aS,6bR,9S,10S,11S,12aS)-10-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Formula:
C63H102O32
InChI: InChI=1/C63H102O32/c1-24-44(90-50-40(77)35(72)28(69)19-84-50)46(92-55-48(81)62(83,22-67)23-86-55)43(80)52(87-24)93-47-36(73)29(70)20-85-54(47)95-56(82)63-13-12-57(2,3)14-26(63)25-8-9-33-58(4)15-27(68)49(59(5,21-66)32(58)10-11-60(33,6)61(25,7)16-34(63)71)94-53-42(79)45(38(75)31(18-65)89-53)91-51-41(78)39(76)37(74)30(17-64)88-51/h8,24,26-55,64-81,83H,9-23H2,1-7H3/t24-,26u,27-,28+,29-,30+,31+,32u,33+,34+,35-,36-,37+,38+,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60+,61+,62+,63+/m0/s1
InChIKey: InChIKey=NOVQBNCKPZHQLI-JNIQDLRCBF
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(CO1)(CO)O)O)OC1C(C(C(CO1)O)O)O
Names:
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl] (4aR,5R,6aR,6aS,6bR,9S,10S,11S,12aS)-10-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Registries:
PubChem CID 10080159
PubChem ID 15065645
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