[(1S,2R,5R,6R,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol (Q115946452)

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chemical compound

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Language	Label	Description	Also known as
English	[(1S,2R,5R,6R,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

cedranes

1 reference

based on heuristic

inferred from SMILES

mass

220.182715388 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,5R,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₄O

0 references

canonical SMILES

OCC1(C)C2C(=CCC3(C2)C(C)CCC13)C

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isomeric SMILES

CC1=CC[C@@]23C[C@@H]1[C@@](C)(CO)[C@@H]2CC[C@H]3C

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found in taxon

Artemisia annua

1 reference

stated in

Composition of the essential oil from the root of Artemisia annua

Humulus lupulus

1 reference

stated in

Assessment of the phytochemical profiles of novel hop (Humulus lupulus L.) cultivars: A potential route to beer crafting

Valeriana officinalis

1 reference

stated in

Comparison of Headspace SPME with Hydrodistillation and SFE for Analysis of the Volatile Components of the Roots of Valeriana officinalis var. latifolia

Identifiers

InChI

InChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1

0 references

InChIKey

PPTXKCYXNDLKTQ-FQKPHLNHSA-N

0 references

PubChem CID

21724003

2 references

stated in

PubChem

retrieved

2 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PPTXKCYXNDLKTQ-FQKPHLNHSA-N

UniChem compound ID

44680453

1 reference

stated in

UniChem

KNApSAcK ID

C00055699

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PPTXKCYXNDLKTQ-FQKPHLNHSA-N

 

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