(2S,5R,5aS,5bS,7aS,7bR,10aS,11aS,11bS,13aR)-Octadecahydro-5a,7a-dimethyl-2,5-epoxyfuro[3′′,2′′:3′,4′]cyclopenta[1′,2′:5,6]naphth[1,2-d]azepin-9(1H)-one
CAS Registry Number®
6384-73-2
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CAS Name
(2S,5R,5aS,5bS,7aS,7bR,10aS,11aS,11bS,13aR)-Octadecahydro-5a,7a-dimethyl-2,5-epoxyfuro[3′′,2′′:3′,4′]cyclopenta[1′,2′:5,6]naphth[1,2-d]azepin-9(1H)-oneMolecular Formula
C21H31NO3Molecular Mass
345.48Cite this Page
(2S,5R,5aS,5bS,7aS,7bR,10aS,11aS,11bS,13aR)-Octadecahydro-5a,7a-dimethyl-2,5-epoxyfuro[3′′,2′′:3′,4′]cyclopenta[1′,2′:5,6]naphth[1,2-d]azepin-9(1H)-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6384-73-2 (retrieved ) (CAS RN: 6384-73-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
287-288 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H31NO3/c1-20-6-5-13-12(14(20)8-16-15(20)9-19(23)24-16)4-3-11-7-18-22-10-17(25-18)21(11,13)2/h11-18,22H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,16+,17+,18+,20+,21+/m1/s1
InChIKey
InChIKey=GUSZSGSYIVZEDM-MZDLDJOOSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@]5(O[C@]4(CN5)[H])[H])[H])(CC1)[H])[H])(C[C@]6([C@@]2(CC(=O)O6)[H])[H])[H]
Canonical SMILES
O=C1OC2CC3C4CCC5CC6OC(CN6)C5(C)C4CCC3(C)C2C1
Other Names for this Substance
- 2,5-Epoxyfuro[3′′,2′′:3′,4′]cyclopenta[1′,2′:5,6]naphth[1,2-d]azepin-9(1H)-one, octadecahydro-5a,7a-dimethyl-, (2S,5R,5aS,5bS,7aS,7bR,10aS,11aS,11bS,13aR)-
- Samandaridine
- 3-Aza-A-homopregnan-21-oic acid, 1,4-epoxy-16-hydroxy-, γ-lactone, (1α,4α,5β,16β)-
- (2S,5R,5aS,5bS,7aS,7bR,10aS,11aS,11bS,13aR)-Octadecahydro-5a,7a-dimethyl-2,5-epoxyfuro[3′′,2′′:3′,4′]cyclopenta[1′,2′:5,6]naphth[1,2-d]azepin-9(1H)-one
- Samandaridin
Deleted or Replaced CAS Registry Numbers
31561-29-2, 1071658-61-1
