NEOSOLANIOL 8-BUTYRATE

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)CCC

InChI

InChIKey=QAZLVSRKBUTUHB-MXINJKJASA-N

InChI=1S/C23H32O9/c1-6-7-17(26)31-15-9-22(10-28-13(3)24)16(8-12(15)2)32-20-18(27)19(30-14(4)25)21(22,5)23(20)11-29-23/h8,15-16,18-20,27H,6-7,9-11H2,1-5H3/t15-,16+,18+,19+,20+,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 11:32:23 GMT 2023` Edited by `admin` on `Sat Dec 16 11:32:23 GMT 2023`
Record UNII	I2RCY0K6FQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOSOLANIOL 8-BUTYRATE

Common Name

English

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

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10243825

Created by admin on Sat Dec 16 11:32:23 GMT 2023 , Edited by admin on Sat Dec 16 11:32:23 GMT 2023

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CAS

98813-18-4

Created by admin on Sat Dec 16 11:32:23 GMT 2023 , Edited by admin on Sat Dec 16 11:32:23 GMT 2023

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PUBCHEM

13797598

Created by admin on Sat Dec 16 11:32:23 GMT 2023 , Edited by admin on Sat Dec 16 11:32:23 GMT 2023

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FDA UNII

I2RCY0K6FQ

Created by admin on Sat Dec 16 11:32:23 GMT 2023 , Edited by admin on Sat Dec 16 11:32:23 GMT 2023

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