3,4-DIACETOXYSCIRPENOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26O7
Molecular Weight	366.4055
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](OC(C)=O)[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]4C=C(C)CC[C@]24CO

InChI

InChIKey=INNGXXRVGHCNRI-NMAPUUFXSA-N

InChI=1S/C19H26O7/c1-10-5-6-18(8-20)13(7-10)26-16-14(24-11(2)21)15(25-12(3)22)17(18,4)19(16)9-23-19/h7,13-16,20H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H26O7
Molecular Weight	366.4055
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 `Tue Apr 01 16:50:51 GMT 2025` Edited by `admin` on `Tue Apr 01 16:50:51 GMT 2025`
Record UNII	13875465Y1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-283150

Preferred Name

English

3,4-DIACETOXYSCIRPENOL

Common Name

English

SCIRP-9-ENE-3.ALPHA.,4.BETA.,15-TRIOL, 3,4-DIACETATE

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

10044420