ISORORIDIN E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38O8
Molecular Weight	514.6072
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)[C@H]1OCCC(C)=CC(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]4C[C@@H](OC(=O)\C=C\C=C\1)[C@@]3(C)[C@]45CO5

InChI

InChIKey=KEEQQEKLEZRLDS-CBATUBCFSA-N

InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6+,19-14-/t20-,21-,22+,23+,24+,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H38O8
Molecular Weight	514.6072
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:09:11 GMT 2025` Edited by `admin` on `Mon Mar 31 21:09:11 GMT 2025`
Record UNII	YV3V37EV6G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISORORIDIN E

Common Name

English

ISORORIDIN-E

Preferred Name

English

VERRUCARIN A, 2',3'-DIDEHYDRO-7'-DEOXO-2'-DEOXY-7'-((1S)-1-HYDROXYETHYL)-, (2'E,7'S)-

Systematic Name

English

VERRUCARIN A, 2',3'-DIDEHYDRO-7'-DEOXO-2'-DEOXY-7'-(1-HYDROXYETHYL)-, (2'E,7'S(S))-

Systematic Name

English

(2'E,7'S)-2',3'-DIDEHYDRO-7'-DEOXO-2'-DEOXY-7'-((1S)-1-HYDROXYETHYL)VERRUCARIN A

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60891855

Created by admin on Mon Mar 31 21:09:11 GMT 2025 , Edited by admin on Mon Mar 31 21:09:11 GMT 2025

PRIMARY

CAS

64726-84-7

Created by admin on Mon Mar 31 21:09:11 GMT 2025 , Edited by admin on Mon Mar 31 21:09:11 GMT 2025

PRIMARY

FDA UNII

YV3V37EV6G

Created by admin on Mon Mar 31 21:09:11 GMT 2025 , Edited by admin on Mon Mar 31 21:09:11 GMT 2025

PRIMARY