(Q104666875)

English

(2R,4aS,6aS,12bR,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

9-Formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

480.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,4aS,6aR,6aS,14aS,14bS)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₆

0 references

canonical SMILES

O=CC=1C(O)=C(O)C=C2C1C(=O)C=C3C2(C)CCC4(C)C5CC(C(=O)O)(C)CCC5(C)CCC34C

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isomeric SMILES

C[C@@]12CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]1C[C@](C)(C(=O)O)CC2

0 references

found in taxon

Kokoona zeylanica

3 references

stated in

Two phenolic friedo-23,24-dinoroleanane triterpenes from Kokoona zeylanica

stated in

Studies on terpenoids and steroids. Part 10. Structures of four new natural phenol is D:A-friedo-24-noroleanane triterpenoids

stated in

Two phenolic friedo-23,24-dinoroleanane triterpenes from Kokoona zeylanica

Tripterygium hypoglaucum

2 references

stated in

Di- and triterpenoids from Tripterygium hypoglaucum

stated in

Di- and triterpenoids from Tripterygium hypoglaucum

Tripterygium regelii

1 reference

stated in

The genus Tripterygium: A phytochemistry and pharmacological review

Tripterygium wilfordii

4 references

stated in

The genus Tripterygium: A phytochemistry and pharmacological review

stated in

Di- and triterpenoids from Tripterygium hypoglaucum

stated in

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

stated in

New nortriterpenoid isolated from anti-rheumatoid arthritic plant, Tripterygium wilfordii, modulates tumor growth and neovascularization

Identifiers

InChI

InChI=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)/t21-,25-,26-,27+,28-,29+/m1/s1

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InChIKey

ZDZSFWLPCFRASW-CPISFEQASA-N

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CAS Registry Number

107316-88-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

26 December 2021

mapping relation type

exact match

1 reference

stated in

ChEBI release 2021-03-01

SureChEMBL ID

SCHEMBL22861859

1 reference

based on heuristic

inferred from InChIKey

1 reference

0 references

(Q104666875)

(2R,4aS,6aS,12bR,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

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