SCIRPENETRIOL TRIACETATE, (12R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O8
Molecular Weight	408.4422
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SCIRPENETRIOL TRIACETATE, (12R)-

Structure Search

SMILES

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

InChI

InChIKey=YWQOKOBRSAAKTG-PUWMBYMRSA-N

InChI=1S/C21H28O8/c1-11-6-7-20(9-25-12(2)22)15(8-11)29-18-16(27-13(3)23)17(28-14(4)24)19(20,5)21(18)10-26-21/h8,15-18H,6-7,9-10H2,1-5H3/t15-,16-,17-,18-,19-,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O8
Molecular Weight	408.4422
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:04:25 GMT 2025` Edited by `admin` on `Mon Mar 31 21:04:25 GMT 2025`
Record UNII	A3340IJS8L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(3ALPHA,4BETA,12R)-12,13-EPOXYTRICHOTHEC-9-ENE-3,4,15-TRIYL TRIACETATE

Preferred Name

English

SCIRPENETRIOL TRIACETATE, (12R)-

Common Name

English

SCIRPENOL TRIACETATE, (12R)-

Common Name

English

ANGUIDOL TRIACETATE, (12R)-

Common Name

English

TRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-, TRIACETATE, (3.ALPHA.,4.BETA.,12R)-

Systematic Name

English

12,13-EPOXYTRICHOTHEC-9-ENE-3,4,15-TRIYL TRIACETATE, (3ALPHA,4BETA,12R)-

Common Name

English

Code System Code Type Description

FDA UNII

A3340IJS8L

Created by admin on Mon Mar 31 21:04:25 GMT 2025 , Edited by admin on Mon Mar 31 21:04:25 GMT 2025

PRIMARY

PUBCHEM

13816965

Created by admin on Mon Mar 31 21:04:25 GMT 2025 , Edited by admin on Mon Mar 31 21:04:25 GMT 2025

PRIMARY

CAS

111554-96-2

Created by admin on Mon Mar 31 21:04:25 GMT 2025 , Edited by admin on Mon Mar 31 21:04:25 GMT 2025

PRIMARY