SPATHULENOL

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H24O
Molecular Weight	220.3505
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SPATHULENOL

Structure Search

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1([H])[C@H]3[C@@H](CCC2=C)C3(C)C

InChI

InChIKey=FRMCCTDTYSRUBE-BGPZULBFSA-N

InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H24O
Molecular Weight	220.3505
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:46 UTC 2023` Edited by `admin` on `Fri Dec 15 19:50:46 UTC 2023`
Record UNII	7XV9L96SJJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPATHULENOL

Common Name

English

1H-CYCLOPROP(E)AZULEN-7-OL, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-, (1AR-(1A.ALPHA.,4A.ALPHA.,7.BETA.,7A.BETA.,7B.ALPHA.))-

Common Name

English

1H-CYCLOPROP(E)AZULEN-7-OL, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-

Systematic Name

English

ESPATULENOL

Common Name

English

(+)-SPATHULENOL

Common Name

English

1H-CYCLOPROP(E)AZULEN-7-OL, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-, (1AR,4AR,7S,7AR,7BR)-

Common Name

English

Code System Code Type Description

CAS

6750-60-3

Created by admin on Fri Dec 15 19:50:46 UTC 2023 , Edited by admin on Fri Dec 15 19:50:46 UTC 2023

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WIKIPEDIA

Spathulenol

Created by admin on Fri Dec 15 19:50:46 UTC 2023 , Edited by admin on Fri Dec 15 19:50:46 UTC 2023

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EPA CompTox

DTXSID00881210

Created by admin on Fri Dec 15 19:50:46 UTC 2023 , Edited by admin on Fri Dec 15 19:50:46 UTC 2023

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MESH

C013258

Created by admin on Fri Dec 15 19:50:46 UTC 2023 , Edited by admin on Fri Dec 15 19:50:46 UTC 2023

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FDA UNII

7XV9L96SJJ

Created by admin on Fri Dec 15 19:50:46 UTC 2023 , Edited by admin on Fri Dec 15 19:50:46 UTC 2023

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PUBCHEM

92231

Created by admin on Fri Dec 15 19:50:46 UTC 2023 , Edited by admin on Fri Dec 15 19:50:46 UTC 2023

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