(Q105311014)

English

10-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-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 C₄₁H₆₆O₁₂

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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

750.455427552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₆O₁₂

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OC(C)C(O)C(O)C7O)C(C)(C)C5CCC4(C)C3(C)CC1O

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found in taxon

Hedera canariensis

1 reference

stated in

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

Hedera helix

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C41H66O12/c1-20-28(44)30(46)31(47)33(51-20)53-32-29(45)23(42)19-50-34(32)52-27-12-13-38(6)24(37(27,4)5)11-14-39(7)25(38)10-9-21-22-17-36(2,3)15-16-41(22,35(48)49)26(43)18-40(21,39)8/h9,20,22-34,42-47H,10-19H2,1-8H3,(H,48,49)

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InChIKey

WQVNDHHTUJYLTJ-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105311014)

10-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-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

Statements

Identifiers

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