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Substance Name: Paspalicine
RN: 11024-55-8
UNII: J35628M7AA
InChIKey: HSFKQYJRJBEWKH-XTHGXZEWSA-N

Note

  • Tremorgenic mycotoxin.

Molecular Formula

  • C27-H31-N-O3

Molecular Weight

  • 417.5459
 
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Names and Synonyms

Name of Substance

  • Paspalicine

Synonym

  • UNII-J35628M7AA

Systematic Names

  • 4H-3,15a-Epoxy-1-benzoxepino(6',7':6,7)indeno(1,2-b)indol-4-one, 2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-2,2,13b,13c-tetramethyl-, (3R,5bR,7aS,13bS,13cS,15aS)-
  • 4H-3,15a-Epoxy-1-benzoxepino(6',7':6,7)indeno(1,2-b)indol-4-one, 2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-2,2,13b,13c-tetramethyl-, (3R-(3alpha,5balpha,7abeta,13balpha,13cbeta,15aalpha))-

Registry Numbers

CAS Registry Number

  • 11024-55-8

FDA UNII

  • J35628M7AA

System Generated Number

  • 0011024558

Structure Descriptors

InChI

1S/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1

InChIKey

HSFKQYJRJBEWKH-XTHGXZEWSA-N

Smiles

CC1(C)O[C@@]23CC[C@@]4(C)[C@@H](CC[C@H]5Cc6c([nH]c7ccccc67)[C@]45C)C2=CC(=O)[C@@H]1O3