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Substance Name: Papuamine
RN: 112455-84-2
UNII: 6695RBD96K
InChIKey: ZKTFUNZCYRUILZ-XVMYYXKMSA-N

Note

  • From an Indonesian sponge Haliclona sp.

Molecular Formula

  • C25-H40-N2

Molecular Weight

  • 368.605
 
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Names and Synonyms

Name of Substance

  • Papuamine

Synonyms

  • (-)-Papuamine
  • (4aS,5aR,10aR,11aS,15aR,15bS,16E,18E,19aS,19bR)-2,3,4,4a,5,5a,6,7,8,9,10,10a,11,11a,12,13,14,15,15a,15b,19a,19b-Docosahydro-1H-diindeno(2,1-f:1',2'-1)(1,5)diazacyclotridecine
  • 1H-Diindeno(2,1-f:1',2'-l)(1,5)diazacyclotridecine, 2,3,4,4a,5,5a,6,7,8,9,10,10a,11,11a,12,13,14,15,15a,15b,19a,19b-docosahydro-, (4aS,5aR,10aR,11aS,15aR,15bS,16E,18E,19aS,19bR)-
  • Papuamine
  • Papuamine [MI]
  • Papuamine, (-)-
  • UNII-6695RBD96K

Registry Numbers

CAS Registry Number

  • 112455-84-2

FDA UNII

  • 6695RBD96K

System Generated Number

  • 0112455842

Structure Descriptors

InChI

1S/C25H40N2/c1-3-10-20-18(8-1)16-24-22(20)12-5-6-13-23-21-11-4-2-9-19(21)17-25(23)27-15-7-14-26-24/h5-6,12-13,18-27H,1-4,7-11,14-17H2/b12-5+,13-6+/t18-,19-,20+,21+,22-,23-,24+,25+/m0/s1

InChIKey

ZKTFUNZCYRUILZ-XVMYYXKMSA-N

Smiles

C1CC[C@@H]2[C@@H](C1)C[C@H]3NCCCN[C@@H]4C[C@@H]5CCCC[C@H]5[C@@H]4\C=C\C=C\[C@@H]23