ACS-67

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H38O5S3
Molecular Weight	598.836
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3)CCC4=CC=CC=C4

InChI

InChIKey=JEEWZRQQYWVJCX-WEWVERJPSA-N

InChI=1S/C32H38O5S3/c33-24(15-12-22-8-4-3-5-9-22)16-19-27-26(28(34)20-29(27)35)10-6-1-2-7-11-31(36)37-25-17-13-23(14-18-25)30-21-32(38)40-39-30/h1,3-6,8-9,13-14,17-18,21,24,26-29,33-35H,2,7,10-12,15-16,19-20H2/b6-1-/t24-,26+,27+,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H38O5S3
Molecular Weight	598.836
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:59:36 GMT 2025` Edited by `admin` on `Mon Mar 31 21:59:36 GMT 2025`
Record UNII	0B0T2KE6BL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-HEPTENOIC ACID, 7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((3R)-3-HYDROXY-5-PHENYLPENTYL)CYCLOPENTYL)-, 4-(3-THIOXO-3H-1,2-DITHIOL-5-YL)PHENYL ESTER, (5Z)-

Preferred Name

English

ACS-67

Common Name

English

Code System Code Type Description

PUBCHEM

44204917

Created by admin on Mon Mar 31 21:59:36 GMT 2025 , Edited by admin on Mon Mar 31 21:59:36 GMT 2025

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FDA UNII

0B0T2KE6BL

Created by admin on Mon Mar 31 21:59:36 GMT 2025 , Edited by admin on Mon Mar 31 21:59:36 GMT 2025

PRIMARY

CAS

1088434-86-9

Created by admin on Mon Mar 31 21:59:36 GMT 2025 , Edited by admin on Mon Mar 31 21:59:36 GMT 2025

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Related Record Type Details


					0B0T2KE6BL

ACS-67

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