ROTUNDIFURAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H34O4
Molecular Weight	362.503
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC3=COC=C3

InChI

InChIKey=QKHCQFQIJKXMOE-UGFIEOPBSA-N

InChI=1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3/t15-,18-,19+,21+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H34O4
Molecular Weight	362.503
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:12:40 GMT 2025` Edited by `admin` on `Mon Mar 31 20:12:40 GMT 2025`
Record UNII	T2UY9AYG4O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ROTUNDIFURAN

Common Name

English

1,4-NAPHTHALENEDIOL, 1-(2-(3-FURANYL)ETHYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-, 4-ACETATE, (1R,2R,4R,4AS,8AS)-

Preferred Name

English

1,4-NAPHTHALENEDIOL, 1-(2-(3-FURANYL)ETHYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-, 4-ACETATE, (1R-(1.ALPHA.,2.ALPHA.,4.BETA.,4A.ALPHA.,8A.BETA.))-

Common Name

English

Code System Code Type Description

PUBCHEM

9841926

Created by admin on Mon Mar 31 20:12:40 GMT 2025 , Edited by admin on Mon Mar 31 20:12:40 GMT 2025

PRIMARY

FDA UNII

T2UY9AYG4O

Created by admin on Mon Mar 31 20:12:40 GMT 2025 , Edited by admin on Mon Mar 31 20:12:40 GMT 2025

PRIMARY

EPA CompTox

DTXSID00198698

Created by admin on Mon Mar 31 20:12:40 GMT 2025 , Edited by admin on Mon Mar 31 20:12:40 GMT 2025

PRIMARY

CAS

50656-65-0

Created by admin on Mon Mar 31 20:12:40 GMT 2025 , Edited by admin on Mon Mar 31 20:12:40 GMT 2025

PRIMARY

Related Record Type Details


					433OSF3U8A

CHASTE TREE FRUIT

PARENT -> CONSTITUENT ALWAYS PRESENT