Muldamine

CAS Registry Number®

36069-45-1
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CAS Name

Muldamine

Molecular Formula

C29H47NO3

Molecular Mass

457.69

Cite this Page

Muldamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=36069-45-1 (retrieved 2024-04-25) (CAS RN: 36069-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H47NO3/c1-17-6-9-25(30-16-17)18(2)27-26(33-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-27,30,32H,6,8-16H2,1-5H3/t17-,18+,21-,22+,23-,24-,25-,26+,27-,28-,29-/m0/s1

InChIKey

InChIKey=ZVYUDNWAHWVPPN-WGMPUXNISA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](O)CC4)[H])[H])(C[C@@H](OC(C)=O)[C@@]2([C@H](C)[C@@]5(CC[C@H](C)CN5)[H])[H])[H]

Canonical SMILES

O=C(OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C5NCC(C)CC5)C

Other Names for this Substance

  • Pregn-5-ene-3,16-diol, 20-[(2S,5S)-5-methyl-2-piperidinyl]-, 16-acetate, (3β,16α,20S)-
  • 16,28-Secosolanid-5-ene-3,16-diol, 16-acetate, (3β,16α,22α)-
  • Teinemine 16-acetate
  • Muldamine
  • Alkaloid Q, from Veratrumcalifornicum

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Deleted or Replaced CAS Registry Numbers

11051-63-1

CAS INSIGHTSTM
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