CAS 81703-55-1 | Ciprostene (calcium salt) | CAS Number 81703-55-1

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81703-55-1 | Ciprostene (calcium salt)

CAS No: 81703-55-1 Catalog No: AG005J0P MDL No:MFCD01632742

Product Description

Catalog Number:

AG005J0P

Chemical Name:

Ciprostene (calcium salt)

CAS Number:

81703-55-1

Molecular Formula:

C44H70CaO8

Molecular Weight:

767.0998

MDL Number:

MFCD01632742

IUPAC Name:

calcium;(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoate

InChI:

InChI=1S/2C22H36O4.Ca/c2*1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24;/h2*8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26);/q;;+2/p-2/b2*12-11+,16-8-;/t2*17-,18+,19+,20+,22-;/m00./s1

InChI Key:

NJTMVDAFPIEZAJ-BMKVUGPNSA-L

SMILES:

CCCCC[C@H](/C=C/[C@@H]1[C@@H](O)C[C@@]2([C@H]1C/C(=C/CCCC(=O)[O-])/C2)C)O.CCCCC[C@H](/C=C/[C@@H]1[C@@H](O)C[C@@]2([C@H]1C/C(=C/CCCC(=O)[O-])/C2)C)O.[Ca+2]

UNII:

A85Y5Y98EJ