Cyclopamine

CAS Registry Number®

4449-51-8

CAS Name

Cyclopamine

Molecular Formula

C27H41NO2

Molecular Mass

411.62

Cite this Page

Cyclopamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4449-51-8 (retrieved 2024-11-22) (CAS RN: 4449-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224-227 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1

InChIKey

InChIKey=QASFUMOKHFSJGL-LAFRSMQTSA-N

SMILES

CC=1[C@]2([C@H](C)[C@]3([C@](O2)(C[C@H](C)CN3)[H])[H])CC[C@@]4(C1C[C@]5([C@]4(CC=C6[C@]5(C)CC[C@H](O)C6)[H])[H])[H]

Canonical SMILES

OC1CC2=CCC3C4C(=C(C)C5(OC6CC(C)CNC6C5C)CC4)CC3C2(C)CC1

Other Names for this Substance

  • Spiro[9H-benzo[a]fluorene-9,2′(3′H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3′a,4,4′,5′,6,6′,6a,6b,7,7′,7′a,8,11,11a,11b-octadecahydro-3′,6′,10,11b-tetramethyl-, (2′R,3S,3′R,3′aS,6′S,6aS,6bS,7′aR,11aS,11bR)-
  • Cyclopamine
  • Veratraman-3-ol, 17,23-epoxy-, (3β,23β)-
  • Jervine, 11-deoxo-
  • (2′R,3S,3′R,3′aS,6′S,6aS,6bS,7′aR,11aS,11bR)-1,2,3,3′a,4,4′,5′,6,6′,6a,6b,7,7′,7′a,8,11,11a,11b-Octadecahydro-3′,6′,10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2′(3′H)-furo[3,2-b]pyridin]-3-ol

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Deleted or Replaced CAS Registry Numbers

11051-96-0, 26108-61-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration