(Q104908691)

English

[(E)-5-[(1R,4aR,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-(6-Hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5beta,9alpha,10alpha)-15-Acetoxylabda-7,13-diene-3beta-ol

1 reference

based on heuristic

inferred from InChI

[(E)-5-[(1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₃

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canonical SMILES

O=C(OCC=C(C)CCC1C(=CCC2C(C)(C)C(O)CCC12C)C)C

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isomeric SMILES

CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C

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found in taxon

Ophryosporus heptanthus

1 reference

stated in

Ent-labdane diterpenoids, tremetone and chromene derivatives and flavonoids from Ophryosporus heptanthus

Identifiers

InChI

InChI=1S/C22H36O3/c1-15(12-14-25-17(3)23)7-9-18-16(2)8-10-19-21(4,5)20(24)11-13-22(18,19)6/h8,12,18-20,24H,7,9-11,13-14H2,1-6H3/b15-12+/t18-,19+,20+,22+/m1/s1

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InChIKey

ABMHRZWSHXQICN-DMYZENFISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ABMHRZWSHXQICN-DMYZENFISA-N

(Q104908691)

[(E)-5-[(1R,4aR,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

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Identifiers

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