(Q105144590)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-Hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

450.277009696 dalton

1 reference

1 reference

C₂₉H₃₈O₄

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canonical SMILES

O=C1C=C2C(=CC=C3C2(C)CCC4(C)C5CC(C(=O)O)(C)CCC5(C)CCC34C)C(=C1O)C

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isomeric SMILES

CC1=C(O)C(=O)C=C2C1=CC=C1[C@]2(C)CC[C@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C

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found in taxon

Tripterygium wilfordii

1 reference

stated in

Cytotoxic diterpenes triptolide, tripdiolide, and cytotoxic triterpenes from tissue cultures of Tripterygium wilfordii

Identifiers

InChI

InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26+,27+,28-,29+/m0/s1

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InChIKey

KQJSQWZMSAGSHN-YWZNFWACSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KQJSQWZMSAGSHN-YWZNFWACSA-N

(Q105144590)

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

Statements

Identifiers

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