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Substance Name: Petrocortyne A
RN: 201990-21-8
InChIKey: JHDVAFXLNSEWLY-QGJIOMKESA-N

Note

  • Isolated from the marine sponge Petrosia.

Molecular Formula

  • C46-H70-O2

Molecular Weight

  • 655.057
 
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Names and Synonyms

Results Name

  • Petrocortyne A

Name of Substance

  • Petrocortyne A

Synonym

  • Petrocortyne A

Systematic Names

  • 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, (R-(R*,R*-(4E,21Z,27Z,43Z)))-
  • 4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol,(3R,4E,14R,21Z,27Z,43Z)-

Registry Numbers

CAS Registry Number

  • 201990-21-8

System Generated Number

  • 0201990218

Structure Descriptors

InChI

1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,5-6,21-22,27-28,39,42,45-48H,7-20,23-26,29-38H2/b6-5-,22-21-,28-27-,42-39+/t45-,46-/m0/s1

InChIKey

JHDVAFXLNSEWLY-QGJIOMKESA-N

Smiles

C#C[C@@H](\C=C\CCCCCCC#C[C@H](C#CCCCC\C=C/CCCC\C=C/CCCCCCCCCCCCCC\C=C/C#C)O)O