SQUALESTATIN 3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H30O13
Molecular Weight	538.4979
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](CC1=CC=CC=C1)[C@H](OC(C)=O)C(=C)CC[C@]23O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@@](O)([C@H](O3)C(O)=O)C(O)=O

InChI

InChIKey=RUIMBWGGEYKRPS-UBAHACBWSA-N

InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H30O13
Molecular Weight	538.4979
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 `Mon Mar 31 21:15:20 GMT 2025` Edited by `admin` on `Mon Mar 31 21:15:20 GMT 2025`
Record UNII	Y30NG2NO9Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SQUALESTATIN 3

Common Name

English

SQUALESTATIN H1

Preferred Name

English

L-ERYTHRO-L-GLYCERO-D-ALTRO-7-TRIDECULO-7,4-FURANOSONIC ACID, 2,7-ANHYDRO-3,4-DI-C-CARBOXY-8,9,10,12,13-PENTADEOXY-10-METHYLENE-12-(PHENYLMETHYL)-, 11-ACETATE, (7S)-

Systematic Name

English

SQUALESTATIN III

Common Name

English

Code System Code Type Description

PUBCHEM

460617

Created by admin on Mon Mar 31 21:15:20 GMT 2025 , Edited by admin on Mon Mar 31 21:15:20 GMT 2025

PRIMARY

FDA UNII

Y30NG2NO9Q

Created by admin on Mon Mar 31 21:15:20 GMT 2025 , Edited by admin on Mon Mar 31 21:15:20 GMT 2025

PRIMARY

CAS

142505-92-8

Created by admin on Mon Mar 31 21:15:20 GMT 2025 , Edited by admin on Mon Mar 31 21:15:20 GMT 2025

PRIMARY