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Substance Name: Daphnane
RN: 39686-16-3
InChIKey: CGPFADLKIPZYRE-PJDULFMCSA-N

Molecular Formula

  • C22-H37-N

Molecular Weight

  • 315.5413
 
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Names and Synonyms

Synonyms

  • (3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole
  • Daphnane

Systematic Names

  • 4,8,3a-(1,2,4)Butanetriylcyclopent(b)indole, decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-, (3aR,4aS,5R,8S,8aR,8bS,10S)-
  • 4,8,3a-(1,2,4)Butanetriylcyclopent(b)indole, decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-, (3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-
  • Daphnane

Registry Numbers

CAS Registry Number

  • 39686-16-3

System Generated Number

  • 0039686163

Structure Descriptors

InChI

1S/C22H37N/c1-5-10-22-18-7-6-11-21(18)13-8-16-14-23(21)19(22)17(15(2)3)9-12-20(16,22)4/h15-19H,5-14H2,1-4H3/t16-,17+,18+,19-,20?,21?,22?/m0/s1

InChIKey

CGPFADLKIPZYRE-PJDULFMCSA-N

Smiles

CCCC12[C@@H]3CCCC34CC[C@@H]5C1(CC[C@@H]([C@@H]2N4C5)C(C)C)C