NEOSOLANIOL DIACETATE 9,10-EPOXIDE, (9.BETA.,10.BETA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O11
Molecular Weight	482.4777
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NEOSOLANIOL DIACETATE 9,10-EPOXIDE, (9.BETA.,10.BETA.)-

Structure Search

SMILES

[H][C@@]12O[C@]3([H])[C@@H]4O[C@]4(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1OC(C)=O)[C@]25CO5)OC(C)=O

InChI

InChIKey=OHCXESUMKXSTHK-ZHGDZHGESA-N

InChI=1S/C23H30O11/c1-10(24)28-8-22-7-14(30-11(2)25)20(5)18(34-20)19(22)33-17-15(31-12(3)26)16(32-13(4)27)21(22,6)23(17)9-29-23/h14-19H,7-9H2,1-6H3/t14-,15+,16+,17+,18-,19+,20+,21+,22+,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O11
Molecular Weight	482.4777
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:52:21 GMT 2023` Edited by `admin` on `Sat Dec 16 14:52:21 GMT 2023`
Record UNII	4NBZ0H3A61
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOSOLANIOL DIACETATE 9,10-EPOXIDE, (9.BETA.,10.BETA.)-

Common Name

English

TRICHOTHECANE-3,4,8,15-TETROL, 9,10:12,13-DIEPOXY-, TETRAACETATE, (3.ALPHA.,4.BETA.,8.ALPHA.,9.BETA.,10.BETA.)-

Common Name

English

Code System Code Type Description

CAS

129851-66-7

Created by admin on Sat Dec 16 14:52:21 GMT 2023 , Edited by admin on Sat Dec 16 14:52:21 GMT 2023

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FDA UNII

4NBZ0H3A61

Created by admin on Sat Dec 16 14:52:21 GMT 2023 , Edited by admin on Sat Dec 16 14:52:21 GMT 2023

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PUBCHEM

134687487

Created by admin on Sat Dec 16 14:52:21 GMT 2023 , Edited by admin on Sat Dec 16 14:52:21 GMT 2023

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