(Q105012147)

English

[(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

262.193280072 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(Z)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₆O₂

0 references

canonical SMILES

O=C(OCC(=CC1C2=C(C)CCC2C(C)CC1)C)C

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isomeric SMILES

CC(=O)OC/C(C)=C/[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C12

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found in taxon

Valeriana officinalis

2 references

stated in

Isolation of the sesquiterpene alcohol (−)-pacifigorgiol from valeriana officinalis

stated in

Essential oils from normal and hairy roots of Valeriana officinalis var. sambucifolia

Identifiers

InChI

InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9+/t12-,15+,16-/m1/s1

0 references

InChIKey

GMTBKCJRMNJNFL-MYNFKVGTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GMTBKCJRMNJNFL-MYNFKVGTSA-N

KNApSAcK ID

C00058918

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GMTBKCJRMNJNFL-MYNFKVGTSA-N

(Q105012147)

[(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enyl] acetate

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Identifiers

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