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79743-29-6 | Prosta-5,13-dien-1-oicacid, 6,9-epoxy-11-hydroxy-15-methoxy-, (5Z,9a,11a,13E,15S)- (9CI)
CAS No: 79743-29-6 Catalog No: AG0056C8 MDL No:
Product Description
Catalog Number:
AG0056C8
Chemical Name:
Prosta-5,13-dien-1-oicacid, 6,9-epoxy-11-hydroxy-15-methoxy-, (5Z,9a,11a,13E,15S)- (9CI)
CAS Number:
79743-29-6
Molecular Formula:
C21H34O5
Molecular Weight:
366.4917
IUPAC Name:
(5Z)-5-[(4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-methoxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
InChI:
InChI=1S/C21H34O5/c1-3-4-5-8-15(25-2)11-12-17-18-13-16(9-6-7-10-21(23)24)26-20(18)14-19(17)22/h9,11-12,15,17-20,22H,3-8,10,13-14H2,1-2H3,(H,23,24)/b12-11+,16-9-/t15-,17+,18?,19+,20+/m0/s1
InChI Key:
VPFBJHOEBPCVKL-YLGBNQLJSA-N
SMILES:
CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)OC
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
2
Exact Mass:
366.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.498g/mol
Monoisotopic Mass:
366.241g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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