(Q104994702)

English

3,4,5-Trihydroxy-6-[[12-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₂H₆₆O₁₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

810.4401714120005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₆O₁₅

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canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6C(O)C(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)C)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C42H66O15/c1-37(2)14-16-42(36(53)57-34-29(48)26(45)25(44)20(18-43)54-34)17-15-40(6)19(24(42)32(37)50)8-9-22-39(5)12-11-23(38(3,4)21(39)10-13-41(22,40)7)55-35-30(49)27(46)28(47)31(56-35)33(51)52/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)

0 references

InChIKey

FFVRDWTUNZABAZ-UHFFFAOYSA-N

0 references

PubChem CID

162882863

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FFVRDWTUNZABAZ-UHFFFAOYSA-N

(Q104994702)

3,4,5-Trihydroxy-6-[[12-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid

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