(Q105265177)

English

15-Hydroxylabda-8,13-dien-7-one 15-acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-(2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl)-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-5-[(4aR,8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₃

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canonical SMILES

O=C(OCC=C(C)CCC1=C(C(=O)CC2C1(C)CCCC2(C)C)C)C

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isomeric SMILES

CC(=O)OC/C=C(\C)CCC1=C(C)C(=O)C[C@H]2C(C)(C)CCC[C@]12C

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found in taxon

Parentucellia latifolia

1 reference

stated in

Terpenoid compounds from Parentucellia latifolia

Identifiers

InChI

InChI=1S/C22H34O3/c1-15(10-13-25-17(3)23)8-9-18-16(2)19(24)14-20-21(4,5)11-7-12-22(18,20)6/h10,20H,7-9,11-14H2,1-6H3/b15-10+/t20-,22+/m0/s1

0 references

InChIKey

TVBXJRSJFQRXOQ-NKMFHSCASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TVBXJRSJFQRXOQ-NKMFHSCASA-N

1 reference

(Q105265177)

15-Hydroxylabda-8,13-dien-7-one 15-acetate

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