(Q105123161)

English

[(1R,4R,5R,9S,10R,11R,13S)-14-formyl-5-(hydroxymethyl)-5,9-dimethyl-11-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl] 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

360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₄

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canonical SMILES

O=CC1=CC23CCC4C(C)(CO)CCCC4(C)C3C(OC(=O)C)CC1C2

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2C[C@@]3(C=C2C=O)CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@H]13

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found in taxon

Croton kongensis

1 reference

stated in

Anti-inflammatory diterpenoids from Croton tonkinensis

Identifiers

InChI

InChI=1S/C22H32O4/c1-14(25)26-17-9-15-10-22(11-16(15)12-23)8-5-18-20(2,13-24)6-4-7-21(18,3)19(17)22/h11-12,15,17-19,24H,4-10,13H2,1-3H3/t15-,17-,18+,19-,20+,21+,22-/m1/s1

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InChIKey

IZEWXSNCLIVJKF-HGMIMVGUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IZEWXSNCLIVJKF-HGMIMVGUSA-N

1 reference

(Q105123161)

[(1R,4R,5R,9S,10R,11R,13S)-14-formyl-5-(hydroxymethyl)-5,9-dimethyl-11-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl] acetate

Statements

Identifiers

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