(Q105347387)

English

10-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-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 C₄₁H₆₆O₁₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

782.445256792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₆O₁₄

0 references

canonical SMILES

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

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found in taxon

Fatsia japonica

1 reference

stated in

Triterpene glycosides ofFatsia japonica. I. Isolation and structure of glycosides fromFatsia japonica seeds

Identifiers

InChI

InChI=1S/C41H66O14/c1-36(2)13-14-41(35(50)51)21(15-36)20-7-8-25-37(3)11-10-27(38(4,19-43)24(37)9-12-39(25,5)40(20,6)16-26(41)45)54-34-32(28(46)22(44)18-52-34)55-33-31(49)30(48)29(47)23(17-42)53-33/h7,21-34,42-49H,8-19H2,1-6H3,(H,50,51)

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InChIKey

YESYPQORJRDNIQ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YESYPQORJRDNIQ-UHFFFAOYSA-N

(Q105347387)

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