(Q105000363)

English

6-[[8a-Carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₁H₆₄O₁₄

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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

780.429606728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₄O₁₄

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canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)O)CCC54C)C2(C)CO)C(OC7OCC(O)C(O)C7O)C(O)C1O

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found in taxon

Climacoptera transoxana

1 reference

stated in

Triterpene glycosides ofClimacoptera transoxana. I

Identifiers

InChI

InChI=1S/C41H64O14/c1-36(2)13-15-41(35(50)51)16-14-39(5)20(21(41)17-36)7-8-24-37(3)11-10-25(38(4,19-42)23(37)9-12-40(24,39)6)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h7,21-31,33-34,42-47H,8-19H2,1-6H3,(H,48,49)(H,50,51)

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InChIKey

FRQAIOATWWJIBU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FRQAIOATWWJIBU-UHFFFAOYSA-N

(Q105000363)

6-[[8a-Carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid

Statements

Identifiers

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