(Q105022503)

English

(4S,5beta,9alpha,10alpha)-19-Hydroxy-15,16-epoxylabda-8(20),13-dien-15-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-{2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[2-[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₀H₃₀O₃

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canonical SMILES

O=C1OCC(=C1)CCC2C(=C)CCC3C(C)(CO)CCCC23C

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isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1

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found in taxon

Brickellia lemmonii

1 reference

stated in

Guaianolides and labdanes from Brickellia species

Identifiers

InChI

InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)9-4-10-20(17,3)16(14)7-6-15-11-18(22)23-12-15/h11,16-17,21H,1,4-10,12-13H2,2-3H3/t16-,17-,19-,20+/m1/s1

0 references

InChIKey

GWLQAIIVWXSSCM-LFGUQSLTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GWLQAIIVWXSSCM-LFGUQSLTSA-N

1 reference

(Q105022503)

(4S,5beta,9alpha,10alpha)-19-Hydroxy-15,16-epoxylabda-8(20),13-dien-15-one

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Identifiers

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