SCIRPENOL 3-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24O6
Molecular Weight	324.3689
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=NFFRTZSZVQIMDJ-OINWIYPRSA-N

InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(22-10(2)19)13(20)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H24O6
Molecular Weight	324.3689
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 21:58:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:58:19 GMT 2025`
Record UNII	5L6MAJ6ENI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCIRPENOL 3-ACETATE

Common Name

English

3-ACETOXYSCIRPENOL

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

70402-13-0

Created by admin on Mon Mar 31 21:58:19 GMT 2025 , Edited by admin on Mon Mar 31 21:58:19 GMT 2025

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FDA UNII

5L6MAJ6ENI

Created by admin on Mon Mar 31 21:58:19 GMT 2025 , Edited by admin on Mon Mar 31 21:58:19 GMT 2025

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PUBCHEM

155564

Created by admin on Mon Mar 31 21:58:19 GMT 2025 , Edited by admin on Mon Mar 31 21:58:19 GMT 2025

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EPA CompTox

DTXSID20990611

Created by admin on Mon Mar 31 21:58:19 GMT 2025 , Edited by admin on Mon Mar 31 21:58:19 GMT 2025

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