(Q104667269)

English

(1R,3R,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

group of stereoisomers with the chemical formula C₂₀H₂₄O₁₁

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Statements

instance of

group of stereoisomers

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subclass of

1,6-dimethyl-2-isopropyl-7-tert-butyl-6-ethylspiro[4.4]nonane diterpenoid

1 reference

inferred from

1,6-dimethyl-2-isopropyl-7-tert-butyl-6-ethylspiro[4.4]nonane diterpenoid

mass

440.131861588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₁₁

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canonical SMILES

O=C1OC2OC34C(=O)OC5C(O)C(C(C)(C)C)C2(C1O)C54C(O)C6OC(=O)C(C)C63O

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isomeric SMILES

C[C@@H]1C(=O)O[C@H]2C(O)C34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)C(O)C34C(C(C)(C)C)[C@H]5O)[C@@]12O

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found in taxon

Ginkgo biloba

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stated in

Liquid chromatography/electrospray tandem mass spectrometry of terpenoid lactones in Ginkgo biloba

stated in

Mass spectrometry analysis of terpene lactones in Ginkgo biloba

Identifiers

InChI

InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7?,8?,9?,10-,11+,15+,17?,18?,19-,20-/m1/s1

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InChIKey

AMOGMTLMADGEOQ-WYRVYBOWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AMOGMTLMADGEOQ-WYRVYBOWSA-N

1 reference

(Q104667269)

(1R,3R,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

Statements

Identifiers

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