(Q105033410)

English

(1S,4S,5S,9R,10R,11R,13R)-11-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

11-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4S,5R,9R,10R,11S,13S)-11-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from InChI

11beta-Acetoxykaura-16-ene-19-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₄

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canonical SMILES

O=C(OC1CC2C(=C)CC3(CCC4C(C(=O)O)(C)CCCC4(C)C13)C2)C

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isomeric SMILES

C=C1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@H](OC(C)=O)C[C@H]1C3

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found in taxon

Croton kongensis

1 reference

stated in

Anti-inflammatory diterpenoids from Croton tonkinensis

Identifiers

InChI

InChI=1S/C22H32O4/c1-13-11-22-9-6-17-20(3,7-5-8-21(17,4)19(24)25)18(22)16(26-14(2)23)10-15(13)12-22/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17-,18-,20+,21-,22+/m0/s1

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InChIKey

HTEVPTMQVRGNSS-SIRMXKIZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HTEVPTMQVRGNSS-SIRMXKIZSA-N

1 reference

(Q105033410)

(1S,4S,5S,9R,10R,11R,13R)-11-acetyloxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

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Identifiers

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