VERROL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H30O6
Molecular Weight	378.4593
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C(CCO)=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]3C[C@@H](O)[C@@]2(C)[C@]34CO4

InChI

InChIKey=PZTXWUDHQJHJOJ-LJQLBOGDSA-N

InChI=1S/C21H30O6/c1-13-4-6-20(11-25-18(24)9-14(2)5-7-22)16(8-13)27-17-10-15(23)19(20,3)21(17)12-26-21/h8-9,15-17,22-23H,4-7,10-12H2,1-3H3/b14-9+/t15-,16-,17-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O6
Molecular Weight	378.4593
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:37:24 GMT 2025` Edited by `admin` on `Mon Mar 31 21:37:24 GMT 2025`
Record UNII	A8HAX7VGF3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRICHOTHEC-9-ENE-4,15-DIOL, 12,13-EPOXY-, 15-((2E)-5-HYDROXY-3-METHYL-2-PENTENOATE), (4.BETA.)-

Preferred Name

English

VERROL

Common Name

English

Code System Code Type Description

PUBCHEM

6440745

Created by admin on Mon Mar 31 21:37:24 GMT 2025 , Edited by admin on Mon Mar 31 21:37:24 GMT 2025

PRIMARY

FDA UNII

A8HAX7VGF3

Created by admin on Mon Mar 31 21:37:24 GMT 2025 , Edited by admin on Mon Mar 31 21:37:24 GMT 2025

PRIMARY

CAS

84412-91-9

Created by admin on Mon Mar 31 21:37:24 GMT 2025 , Edited by admin on Mon Mar 31 21:37:24 GMT 2025

PRIMARY