(Q105205752)

English

[(1R,4S,5S,9R,10S,13R)-5,9-dimethyl-14-methylidene-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

kaurane diterpenoid

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mass

344.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₃

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C3CCC4C(=C)C(=O)C3(CCC12)C4)C

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isomeric SMILES

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

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found in taxon

Croton kongensis

2 references

stated in

Crotonkinins A and B and related diterpenoids from Croton tonkinensis as anti-inflammatory and antitumor agents

stated in

Anti-inflammatory diterpenoids from Croton tonkinensis

Identifiers

InChI

InChI=1S/C22H32O3/c1-14-16-6-7-18-21(4)10-5-9-20(3,13-25-15(2)23)17(21)8-11-22(18,12-16)19(14)24/h16-18H,1,5-13H2,2-4H3/t16-,17-,18+,20-,21-,22-/m1/s1

0 references

InChIKey

PCIAHXQFOUORIJ-UQYSYHQNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PCIAHXQFOUORIJ-UQYSYHQNSA-N

1 reference

(Q105205752)

[(1R,4S,5S,9R,10S,13R)-5,9-dimethyl-14-methylidene-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

Statements

Identifiers

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