(Q72485527)

English

(1S,2S,3S,5R)-(+)-Isopinocampheol

chemical compound

[1S-(1alpha,2beta,3alpha,5alpha)]-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol

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instance of

type of chemical entity

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154.135765196 dalton

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(1S-(1alpha,2alpha,3beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-ol

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based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₈O

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canonical SMILES

CC1C(O)CC2CC1C2(C)C

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H]1[C@@H](O)C[C@H]2C[C@@H]1C2(C)C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1

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InChIKey

REPVLJRCJUVQFA-KZVJFYERSA-N

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matched by identifier from

InChIKey

REPVLJRCJUVQFA-KZVJFYERSA-N

SureChEMBL ID

SCHEMBL438332

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

REPVLJRCJUVQFA-KZVJFYERSA-N

EC number

245-998-0

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ECHA Substance Infocard ID

100.041.802

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.041.802

retrieved

29 December 2019

title

[1S-(1α,2β,3α,5α)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol (English)

quotation

CAS no.: 24041-60-9 (English)

(Q72485527)

(1S,2S,3S,5R)-(+)-Isopinocampheol

Statements

Identifiers

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