(Q105113943)

English

[(1S,2S,4S,5S,9R,10R,13S,14R)-2-hydroxy-5,9,14-trimethyl-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2-Hydroxy-5,9,14-trimethyl-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₄

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canonical SMILES

O=C(OC1(C)CCCC2(C)C3CCC4CC3(C(=O)C4C)C(O)CC12)C

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isomeric SMILES

CC(=O)O[C@@]1(C)CCC[C@@]2(C)[C@@H]1C[C@H](O)[C@]13C[C@H](CC[C@@H]12)[C@@H](C)C3=O

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found in taxon

Croton kongensis

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C21H32O4/c1-12-14-6-7-15-19(3)8-5-9-20(4,25-13(2)22)16(19)10-17(23)21(15,11-14)18(12)24/h12,14-17,23H,5-11H2,1-4H3/t12-,14+,15-,16+,17+,19-,20+,21+/m1/s1

0 references

InChIKey

IJGZHMHIRCHAKC-FZPGVFLHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IJGZHMHIRCHAKC-FZPGVFLHSA-N

(Q105113943)

[(1S,2S,4S,5S,9R,10R,13S,14R)-2-hydroxy-5,9,14-trimethyl-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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