(Q105005025)

English

1-[(1S,4S,5R,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethanone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-[5-(Hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

318.255880328 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₂

0 references

canonical SMILES

O=C(C)C1CC23CCC4C(C)(CO)CCCC4(C)C3CCC1C2

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isomeric SMILES

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

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found in taxon

Baccharis minutiflora

1 reference

stated in

Diterpenes from Baccharis species

Identifiers

InChI

InChI=1S/C21H34O2/c1-14(23)16-12-21-10-7-17-19(2,13-22)8-4-9-20(17,3)18(21)6-5-15(16)11-21/h15-18,22H,4-13H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m1/s1

0 references

InChIKey

FZMBVTQPPQUCJH-FVCOPRDSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FZMBVTQPPQUCJH-FVCOPRDSSA-N

(Q105005025)

1-[(1S,4S,5R,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethanone

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Identifiers

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