SCIRPENETRIOL TRIACETATE

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 Search

SMILES

[H][C@]12O[C@@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@](C)(C34CO4)[C@@]1(COC(C)=O)CCC(C)=C2

InChI

InChIKey=YWQOKOBRSAAKTG-SUZJGXHKSA-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 `Sat Dec 16 11:43:40 GMT 2023` Edited by `admin` on `Sat Dec 16 11:43:40 GMT 2023`
Record UNII	D2T6D1C5LU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCIRPENETRIOL TRIACETATE

Common Name

English

SCIRPENOL TRIACETATE

Common Name

English

3.ALPHA.,4.BETA.,15-TRIACETOXY-12,13-EPOXYTRICHOTHEC-9-ENE

Systematic Name

English

ANGUIDOL TRIACETATE

Common Name

English

NSC-267031

Code

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80962814