(Q105380035)

English

2,2,6a,6b,9,9,12a-Heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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 C₃₆H₅₈O₈

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

618.4131688159999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₈O₈

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canonical SMILES

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

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found in taxon

Hedera taurica

1 reference

stated in

Triterpene glycosides ofHedera helix III. Structure of the triterpene sulfates and their glycosides

Identifiers

InChI

InChI=1S/C36H58O8/c1-31(2)14-16-36(30(41)42)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(32(3,4)23(33)10-13-35(24,34)7)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,21-29,37-40H,9-19H2,1-7H3,(H,41,42)

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InChIKey

ZNFRITHWVZXJRK-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZNFRITHWVZXJRK-UHFFFAOYSA-N

1 reference

(Q105380035)

2,2,6a,6b,9,9,12a-Heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Identifiers

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