.ALPHA.-SANTALYL PHENYLACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O2
Molecular Weight	338.4831
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-SANTALYL PHENYLACETATE

Structure Search

SMILES

C\C(COC(=O)CC1=CC=CC=C1)=C\CC[C@]2(C)C3C[C@H]4[C@@H](C3)C24C

InChI

InChIKey=ISBNMFLPVWHCIH-UPMLWZHBSA-N

InChI=1S/C23H30O2/c1-16(15-25-21(24)12-17-9-5-4-6-10-17)8-7-11-22(2)18-13-19-20(14-18)23(19,22)3/h4-6,8-10,18-20H,7,11-15H2,1-3H3/b16-8-/t18?,19-,20+,22-,23?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O2
Molecular Weight	338.4831
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	3 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:32:19 GMT 2025` Edited by `admin` on `Mon Mar 31 20:32:19 GMT 2025`
Record UNII	3W3GH8OH4G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-SANTALYL PHENYLACETATE

Common Name

English

FEMA NO. 3008, .ALPHA.-

Preferred Name

English

BENZENEACETIC ACID, (2Z)-5-((1R,3R,6S)-2,3-DIMETHYLTRICYCLO(2.2.1.02,6)HEPT-3-YL)-2-METHYL-2-PENTENYL ESTER

Common Name

English

.ALPHA.-SANTALOL PHENYLACETATE

Common Name

English

BENZENEACETIC ACID, 5-(2,3-DIMETHYLTRICYCLO(2.2.1.02,6)HEPT-3-YL)-2-METHYL-2-PENTENYL ESTER, STEREOISOMER

Common Name

English

PHENYLACETIC ACID .ALPHA.-SANTALYL ESTER

Common Name

English

Code System Code Type Description

CAS

77-88-3

Created by admin on Mon Mar 31 20:32:19 GMT 2025 , Edited by admin on Mon Mar 31 20:32:19 GMT 2025

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PUBCHEM

71586752

Created by admin on Mon Mar 31 20:32:19 GMT 2025 , Edited by admin on Mon Mar 31 20:32:19 GMT 2025

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FDA UNII

3W3GH8OH4G

Created by admin on Mon Mar 31 20:32:19 GMT 2025 , Edited by admin on Mon Mar 31 20:32:19 GMT 2025

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EPA CompTox

DTXSID701018958

Created by admin on Mon Mar 31 20:32:19 GMT 2025 , Edited by admin on Mon Mar 31 20:32:19 GMT 2025

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