15-DEACETYLCALONECTRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24O5
Molecular Weight	308.3695
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)CC[C@]24CO

InChI

InChIKey=DFPPNUOWRKIOKO-KWRZAIAESA-N

InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H24O5
Molecular Weight	308.3695
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 21:46:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:46:19 GMT 2025`
Record UNII	95N97KTI8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

15-DEACETYLCALONECTRIN

Common Name

English

J91.943H

Preferred Name

English

TRICHOTHEC-9-ENE-3,15-DIOL, 12,13-EPOXY-, 3-ACETATE, (3.ALPHA.)-

Systematic Name

English

12,13-EPOXYTRICHOTHEC-9-ENE-3.ALPHA.,15-DIOL 3-ACETATE

Systematic Name

English

15-DECALONECTRIN

Common Name

English

3.ALPHA.-ACETOXY-15-HYDROXY-12,13-EPOXYTRICHOTHECA-9-ENE

Systematic Name

English

15-O-DEACETYLCALONECTRIN

Common Name

English

15-DESACETYLCALONECTRIN

Common Name

English

Code System Code Type Description

FDA UNII

95N97KTI8K

Created by admin on Mon Mar 31 21:46:19 GMT 2025 , Edited by admin on Mon Mar 31 21:46:19 GMT 2025

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PUBCHEM

14733839

Created by admin on Mon Mar 31 21:46:19 GMT 2025 , Edited by admin on Mon Mar 31 21:46:19 GMT 2025

PRIMARY

EPA CompTox

DTXSID40192079

Created by admin on Mon Mar 31 21:46:19 GMT 2025 , Edited by admin on Mon Mar 31 21:46:19 GMT 2025

PRIMARY

CAS

38818-66-5

Created by admin on Mon Mar 31 21:46:19 GMT 2025 , Edited by admin on Mon Mar 31 21:46:19 GMT 2025

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