Paxilline

CAS Registry Number®

57186-25-1

CAS Name

Paxilline

Molecular Formula

C27H33NO4

Molecular Mass

435.56

Cite this Page

Paxilline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57186-25-1 (retrieved 2024-11-22) (CAS RN: 57186-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1

InChIKey

InChIKey=ACNHBCIZLNNLRS-UBGQALKQSA-N

SMILES

C[C@@]12[C@]3(C)[C@](O)(C=4[C@](CC3)(O[C@H](C(C)(C)O)C(=O)C4)[H])CC[C@]1(CC5=C2NC=6C5=CC=CC6)[H]

Canonical SMILES

O=C1C=C2C(OC1C(O)(C)C)CCC3(C)C2(O)CCC4CC=5C=6C=CC=CC6NC5C43C

Other Names for this Substance

  • 2H-1-Benzopyrano[5′,6′:6,7]indeno[1,2-b]indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2R,4bS,6aS,12bS,12cR,14aS)-
  • 2H-1-Benzopyrano[5′,6′:6,7]indeno[1,2-b]indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, [2R-(2α,4bβ,6aα,12bβ,12cα,14aβ)]-
  • (2R,4bS,6aS,12bS,12cR,14aS)-5,6,6a,7,12,12b,12c,13,14,14a-Decahydro-4b-hydroxy-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indol-3(4bH)-one
  • Paxilline
  • (+)-Paxilline

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration