(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole

CAS Registry Number®

5516-85-8
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CAS Name

(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole

Molecular Formula

C23H28N4

Molecular Mass

360.50

Cite this Page

(3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5516-85-8 (retrieved 2024-05-15) (CAS RN: 5516-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21+,22+,23+/m1/s1

InChIKey

InChIKey=GSQUXSFTXJRLQJ-LDVJMBRRSA-N

SMILES

CN1[C@]2([C@@](C=3C1=CC=CC3)(CCN2C)[C@@]45C=6C(N[C@@]4(N(C)CC5)[H])=CC=CC6)[H]

Canonical SMILES

C=1C=CC2=C(C1)NC3N(C)CCC23C45C=6C=CC=CC6N(C)C5N(C)CC4

Other Names for this Substance

  • 3a,3′a(1H,1′H)-Bipyrrolo[2,3-b]indole, 2,2′,3,3′,8,8′,8a,8′a-octahydro-1,1′,8-trimethyl-, (3aR,3′aR,8aS,8′aR)-
  • Calycanthidine
  • Pyrrolo[2,3-b]indole, calycanthidine deriv.
  • (3aR,3′aR,8aS,8′aR)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole
  • Stereoisomer of 2,2′,3,3′,8,8,8a,8′a-octahydro-1,1′,8-trimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole

Deleted or Replaced CAS Registry Numbers

1349-42-4, 30628-48-9

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