NEOSOLANIOL 8-ISOBUTYRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32O9
Molecular Weight	452.4948
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]24CO4)OC(=O)C(C)C

InChI

InChIKey=CZZOBJORBLRBLT-DSCHAYMESA-N

InChI=1S/C23H32O9/c1-11(2)20(27)31-15-8-22(9-28-13(4)24)16(7-12(15)3)32-19-17(26)18(30-14(5)25)21(22,6)23(19)10-29-23/h7,11,15-19,26H,8-10H2,1-6H3/t15-,16+,17+,18+,19+,21+,22+,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H32O9
Molecular Weight	452.4948
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:44:29 GMT 2023` Edited by `admin` on `Sat Dec 16 11:44:29 GMT 2023`
Record UNII	7OCL55CN56
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOSOLANIOL 8-ISOBUTYRATE

Common Name

English

8-ISOBUTYRYLNEOSOLANIOL

Common Name

English

TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 4,15-DIACETATE 8-(2-METHYLPROPANOATE), (3.ALPHA.,4.BETA.,8.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91809166

Created by admin on Sat Dec 16 11:44:29 GMT 2023 , Edited by admin on Sat Dec 16 11:44:29 GMT 2023

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EPA CompTox

DTXSID50912003

Created by admin on Sat Dec 16 11:44:29 GMT 2023 , Edited by admin on Sat Dec 16 11:44:29 GMT 2023

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FDA UNII

7OCL55CN56

Created by admin on Sat Dec 16 11:44:29 GMT 2023 , Edited by admin on Sat Dec 16 11:44:29 GMT 2023

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CAS

111112-48-2

Created by admin on Sat Dec 16 11:44:29 GMT 2023 , Edited by admin on Sat Dec 16 11:44:29 GMT 2023

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