2-HYDROXYECAMSULE, ENDO-

Details

Stereochemistry	MIXED
Molecular Formula	C28H36O8S2
Molecular Weight	564.711
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)C2CCC1(CS(O)(=O)=O)[C@@H](O)\C2=C\C3=CC=C(\C=C4/C5CCC(CS(O)(=O)=O)(C4=O)C5(C)C)C=C3

InChI

InChIKey=AUIGUMTVSBTOKZ-CHCCLCEUSA-N

InChI=1S/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21?,22?,23-,27?,28?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H36O8S2
Molecular Weight	564.711
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	1 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:55:00 GMT 2023` Edited by `admin` on `Sat Dec 16 05:55:00 GMT 2023`
Record UNII	BU7YKV6E9I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXYECAMSULE, ENDO-

Common Name

English

((1SR,2S,4SR,E)-3-(4-((E)-((1SR,4SR)-7,7-DIMETHYL-3-OXO-4-(SULFOMETHYL)BICYCLO(2.2.1)HEPTAN-2-YLIDENE)METHYL(BENZYLIDENE)-2-HYDROXY-7,7-DIMETHYLBICYCLO(2.2.1)HEPTAN-1-YL)METHANESULFONIC ACID

Common Name

English

ECAMSULE IMPURITY, ENDO-2-HYDROXYECAMSULE-

Common Name

English

ECAMSULE ENDO-2-HYDROXYECAMSULE- [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

BU7YKV6E9I

Created by admin on Sat Dec 16 05:55:00 GMT 2023 , Edited by admin on Sat Dec 16 05:55:00 GMT 2023

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PUBCHEM

139033021

Created by admin on Sat Dec 16 05:55:00 GMT 2023 , Edited by admin on Sat Dec 16 05:55:00 GMT 2023

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