Trichothecolone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H20O4
Molecular Weight	264.3169
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C[C@H]2O[C@@H]3C[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(C)CC1=O

InChI

InChIKey=BURHPZJXARNGQY-LACSLYJWSA-N

InChI=1S/C15H20O4/c1-8-4-11-13(2,6-9(8)16)14(3)10(17)5-12(19-11)15(14)7-18-15/h4,10-12,17H,5-7H2,1-3H3/t10-,11-,12-,13+,14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H20O4
Molecular Weight	264.3169
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:56:58 GMT 2025` Edited by `admin` on `Mon Mar 31 21:56:58 GMT 2025`
Record UNII	8VW3N9GK42
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Trichothecolon

Preferred Name

English

Trichothecolone

Common Name

English

12,13-Epoxy-4?-hydroxytrichothec-9-en-8-one

Systematic Name

English

(4?)-12,13-Epoxy-4-hydroxytrichothec-9-en-8-one

Systematic Name

English

Trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, (4?)-

Systematic Name

English

(1'S,2S,2'R,7'R,9'R,11'R)-11'-hydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-one

Systematic Name

English

Code System Code Type Description

CAS

2199-06-6

Created by admin on Mon Mar 31 21:56:58 GMT 2025 , Edited by admin on Mon Mar 31 21:56:58 GMT 2025

PRIMARY

PUBCHEM

12444504

Created by admin on Mon Mar 31 21:56:58 GMT 2025 , Edited by admin on Mon Mar 31 21:56:58 GMT 2025

PRIMARY

FDA UNII

8VW3N9GK42

Created by admin on Mon Mar 31 21:56:58 GMT 2025 , Edited by admin on Mon Mar 31 21:56:58 GMT 2025

PRIMARY

EPA CompTox

DTXSID30944589

Created by admin on Mon Mar 31 21:56:58 GMT 2025 , Edited by admin on Mon Mar 31 21:56:58 GMT 2025

PRIMARY