NEOSOLANIOL 8-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O9
Molecular Weight	424.4416
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BIQPSTSCCIEMEI-OUFYGVFYSA-N

InChI=1S/C21H28O9/c1-10-6-15-20(8-26-11(2)22,7-14(10)28-12(3)23)19(5)17(29-13(4)24)16(25)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19?,20+,21?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O9
Molecular Weight	424.4416
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	6 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:38:03 GMT 2025` Edited by `admin` on `Mon Mar 31 22:38:03 GMT 2025`
Record UNII	2X9JH5APS4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOSOLANIOL 8-ACETATE

Common Name

English

Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,8,15-triacetate, (3?,4?,8?)-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID00983581

Created by admin on Mon Mar 31 22:38:03 GMT 2025 , Edited by admin on Mon Mar 31 22:38:03 GMT 2025

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FDA UNII

2X9JH5APS4

Created by admin on Mon Mar 31 22:38:03 GMT 2025 , Edited by admin on Mon Mar 31 22:38:03 GMT 2025

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CAS

65041-92-1

Created by admin on Mon Mar 31 22:38:03 GMT 2025 , Edited by admin on Mon Mar 31 22:38:03 GMT 2025

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PUBCHEM

13879996

Created by admin on Mon Mar 31 22:38:03 GMT 2025 , Edited by admin on Mon Mar 31 22:38:03 GMT 2025

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