(Q105239959)

English

10-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-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-carboxylic acid

group of stereoisomers with the chemical formula C₄₁H₆₆O₁₃

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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

766.450342172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₆O₁₃

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC7OCC(O)C(O)C7O)C(C)(CO)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/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(30(47)29(46)24(18-42)52-34)54-33-31(48)28(45)23(44)19-51-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)

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InChIKey

RLGBWHURXHONSU-UHFFFAOYSA-N

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1 reference

2 January 2023

inferred from InChIKey

(Q105239959)

10-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-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-carboxylic acid

Statements

Identifiers

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