(Q104944414)

English

(1R,4aS,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-oxobut-1-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

1,4a-dimethyl-6-methylidene-5-(3-oxobut-1-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

290.188194692 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₆O₃

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canonical SMILES

O=C(C=CC1C(=C)CCC2C(C(=O)O)(C)CCCC12C)C

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isomeric SMILES

C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1/C=C/C(C)=O

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found in taxon

Juniperus brevifolia

1 reference

stated in

Diterpene constituents of leaves from Juniperus brevifolia

Identifiers

InChI

InChI=1S/C18H26O3/c1-12-6-9-15-17(3,14(12)8-7-13(2)19)10-5-11-18(15,4)16(20)21/h7-8,14-15H,1,5-6,9-11H2,2-4H3,(H,20,21)/b8-7+/t14-,15+,17+,18+/m0/s1

0 references

InChIKey

BQLIBSZGTNAGNT-AZKZYPNSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BQLIBSZGTNAGNT-AZKZYPNSSA-N

(Q104944414)

(1R,4aS,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-oxobut-1-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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Identifiers

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