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Substance Name: 1'-O-Acetylpaxilline
RN: 121998-08-1
InChIKey: OHPVFSRTGKOAHP-FPCGACKZSA-N

Note

  • Tremorgenic indoloditerpene from Emericella striata.

Molecular Formula

  • C29-H35-N-O5

Molecular Weight

  • 477.5975
 
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Names and Synonyms

Name of Substance

  • 1'-O-Acetylpaxilline

Systematic Name

  • 2H-1-Benzopyrano(5',6':6,7)indeno(1,2-b)indol-3(4bH)-one, 2-(1-(acetyloxy)-1-methylethyl)-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-12b,12c-dimethyl-, (2R-(2alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-

Registry Numbers

CAS Registry Number

  • 121998-08-1

System Generated Number

  • 0121998081

Structure Descriptors

InChI

1S/C29H35NO5/c1-16(31)35-26(2,3)25-22(32)15-20-23(34-25)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,23,25,30,33H,10-14H2,1-5H3/t17-,23-,25-,27+,28+,29+/m0/s1

InChIKey

OHPVFSRTGKOAHP-FPCGACKZSA-N

Smiles

CC(=O)OC(C)(C)[C@@H]1C(=O)C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(c5c(c6ccccc6[nH]5)C4)C)O)C