L-731078

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H44O13
Molecular Weight	648.6947
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]3(CCC(=C)[C@@H](O)[C@H](C)CC2=CC=CC=C2)O[C@@]1(C(O)=O)[C@@](O)([C@H](O3)C(O)=O)C(O)=O

InChI

InChIKey=YQJGFEMAMZRZOE-FGICSGBJSA-N

InChI=1S/C33H44O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-13,18-19,21,24-27,35-36,43H,4,6,14-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/b13-12+/t18-,19+,21+,24+,25+,26+,27+,31-,32+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H44O13
Molecular Weight	648.6947
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:55:29 GMT 2023` Edited by `admin` on `Sat Dec 16 02:55:29 GMT 2023`
Record UNII	XEK17SRP1C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-731078

Common Name

English

SQUALESTATIN S2

Common Name

English

SQUALESTATIN II

Common 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)-, 5-((2E,4S,6S)-4,6-DIMETHYL-2-OCTENOATE), (7S)-

Systematic Name

English

SQUALESTATIN 2

Common Name

English

Code System Code Type Description

PUBCHEM

10258692

Created by admin on Sat Dec 16 02:55:29 GMT 2023 , Edited by admin on Sat Dec 16 02:55:29 GMT 2023

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CAS

142505-91-7

Created by admin on Sat Dec 16 02:55:29 GMT 2023 , Edited by admin on Sat Dec 16 02:55:29 GMT 2023

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FDA UNII

XEK17SRP1C

Created by admin on Sat Dec 16 02:55:29 GMT 2023 , Edited by admin on Sat Dec 16 02:55:29 GMT 2023

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