(Q105111527)

English

19-Hydroxy-4,5,9,9,13,19,20-heptamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosa-15,17-dien-22-one

group of stereoisomers with the chemical formula C₃₅H₅₂O₈

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Statements

instance of

group of stereoisomers

0 references

subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

600.366218624 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₈

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canonical SMILES

O=C1OC2(C)CCC13C(=C4C=CC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC3)C2(O)C

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found in taxon

Ilex kudingcha

1 reference

stated in

Triterpene saponins from the leaves of Ilex kudingcha

Ilex kaushue

1 reference

stated in

Triterpene saponins from the leaves of Ilex kudingcha

Identifiers

InChI

InChI=1S/C35H52O8/c1-29(2)21-10-13-32(5)22(30(21,3)12-11-23(29)42-27-25(38)24(37)20(36)18-41-27)9-8-19-26-34(7,40)33(6)15-17-35(26,28(39)43-33)16-14-31(19,32)4/h8-9,20-25,27,36-38,40H,10-18H2,1-7H3

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InChIKey

IDTOPFLVXUKSME-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IDTOPFLVXUKSME-UHFFFAOYSA-N

(Q105111527)

19-Hydroxy-4,5,9,9,13,19,20-heptamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosa-15,17-dien-22-one

Statements

Identifiers

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