(Q104950768)

English

10-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methoxycarbonyloxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₄₂H₆₆O₁₃

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

778.4503421720004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₆O₁₃

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)OC)C(OC7OC(CO)C(O)C7O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1

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Identifiers

InChI

InChI=1S/C42H66O13/c1-37(2)15-17-42(36(49)50)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-30(47)28(45)31(32(55-35)33(48)51-8)54-34-29(46)27(44)23(20-43)52-34/h9,22-32,34-35,43-47H,10-20H2,1-8H3,(H,49,50)

0 references

InChIKey

BZYXQYBGARDAPD-UHFFFAOYSA-N

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PubChem CID

162923251

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BZYXQYBGARDAPD-UHFFFAOYSA-N

(Q104950768)

10-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methoxycarbonyloxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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