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Substance Name: Homoisocarbacyclin
RN: 130377-59-2
InChIKey: APARNMGVZWWLMV-ZEYCUZRTSA-N

Molecular Formula

  • C26-H36-O5

Molecular Weight

  • 428.565
 
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Names and Synonyms

Name of Substance

  • Homoisocarbacyclin

Systematic Name

  • 1H-Indene-5-pentanoic acid, 2,3,3a,6,7,7a-hexahydro-2-hydroxy-1-(3-hydroxy-4-methyl-4-phenoxy-1-pentenyl)-, (1S-(1alpha(1E,3S*),2beta,3aalpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 130377-59-2

System Generated Number

  • 0130377592

Structure Descriptors

InChI

1S/C26H36O5/c1-26(2,31-20-9-4-3-5-10-20)24(28)15-14-22-21-13-12-18(8-6-7-11-25(29)30)16-19(21)17-23(22)27/h3-5,9-10,14-16,19,21-24,27-28H,6-8,11-13,17H2,1-2H3,(H,29,30)/b15-14+/t19-,21-,22+,23+,24-/m1/s1

InChIKey

APARNMGVZWWLMV-ZEYCUZRTSA-N

Smiles

C1[C@@H]([C@H]([C@@H]2CCC(=C[C@H]12)CCCCC(=O)O)\C=C\[C@H](C(C)(Oc1ccccc1)C)O)O