U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H44O14
Molecular Weight 652.6834
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 7
Charge 0

SHOW SMILES / InChI
Structure of CROCETIN DIGLUCOPYRANOSIDE

SMILES

CC(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

InChI

InChIKey=QBZWPZHDUZGTLS-IIDMIUPYSA-N
InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H44O14
Molecular Weight 652.6834
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 7
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:52:25 GMT 2023
Edited
by admin
on Fri Dec 15 19:52:25 GMT 2023
Record UNII
8PF1UU481E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CROCETIN DIGLUCOPYRANOSIDE
Common Name English
.BETA.-D-GLUCOPYRANOSE, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOATE)
Systematic Name English
CROCETIN DIGLUCOSYL ESTER
Common Name English
ALL-TRANS-CROCETIN DI(.BETA.-D-GLUCOSYL) ESTER
Common Name English
DICROCIN
Common Name English
CROCIN 4
Common Name English
TRANS-CROCETIN DI-(.BETA.-D-GLUCOSYL) ESTER
Common Name English
Code System Code Type Description
PUBCHEM
25244294
Created by admin on Fri Dec 15 19:52:25 GMT 2023 , Edited by admin on Fri Dec 15 19:52:25 GMT 2023
PRIMARY
CHEBI
62768
Created by admin on Fri Dec 15 19:52:25 GMT 2023 , Edited by admin on Fri Dec 15 19:52:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID001312682
Created by admin on Fri Dec 15 19:52:25 GMT 2023 , Edited by admin on Fri Dec 15 19:52:25 GMT 2023
PRIMARY
FDA UNII
8PF1UU481E
Created by admin on Fri Dec 15 19:52:25 GMT 2023 , Edited by admin on Fri Dec 15 19:52:25 GMT 2023
PRIMARY
CAS
57710-64-2
Created by admin on Fri Dec 15 19:52:25 GMT 2023 , Edited by admin on Fri Dec 15 19:52:25 GMT 2023
PRIMARY