(Q104250483)

English

(1S,2S,4S,5S,7S,9S,11S,13S)-7-isopropyl-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.0²,⁴.0²,⁹.0⁵,⁷.0⁹,¹¹.0¹⁴,¹⁸]icos-14(18)-ene-8,17-dione

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

358.141638424 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₆

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canonical SMILES

O=C1OCC2=C1CCC3(C)C2CC4OC54C(=O)C6(OC6C7OC753)C(C)C

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isomeric SMILES

CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O

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found in taxon

Tripterygium wilfordii

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stated in

CHEMICAL CONSTITUENTS

stated in

Triterpenoids from Tripterygium wilfordii

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Terpenoids from Tripterygium wilfordii.

stated in

High-Performance Liquid Chromatographic Determination of Triptonide, Triptriolide, and Triptophenolide in Ethyl Acetate Extract of Tripterygium Wilfordii Hook F

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Flow rate gradient high-speed counter-current chromatography separation of five diterpenoids from Triperygium wilfordii and scale-up

stated in

Identification and functional characterization of diterpene synthases for triptolide biosynthesis from Tripterygium wilfordii.

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Terpenoids from Tripterygium wilfordii

Tripterygium hypoglaucum

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stated in

CHEMICAL CONSTITUENTS

Identifiers

InChI

InChI=1S/C20H22O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14H,4-7H2,1-3H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1

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InChIKey

SWOVVKGLGOOUKI-ZHGGVEMFSA-N

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CAS Registry Number

38647-11-9

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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17 September 2022

inferred from InChIKey

ChEBI ID

132267

mapping relation type

exact match

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stated in

ChEBI release 2021-03-01

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inferred from InChIKey

Probes And Drugs ID

PD012244

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(Q104250483)

(1S,2S,4S,5S,7S,9S,11S,13S)-7-isopropyl-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.0²,⁴.0²,⁹.0⁵,⁷.0⁹,¹¹.0¹⁴,¹⁸]icos-14(18)-ene-8,17-dione

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