Cas no 58274-46-7 (3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)-)

3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)- structure
58274-46-7 structure
Product Name:3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)-
CAS No:58274-46-7
MF:C29H48O
MW:412.690829277039
CID:5111749
Update Time:2023-08-23

3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)- Chemical and Physical Properties

Names and Identifiers

    • 3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)-
    • Inchi： 1S/C29H48O/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(30)29-17-21(29)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,18-26,30H,7,10-17H2,1-6H3/b9-8+/t19-,20-,21-,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
    • InChI Key： MHRPASLJROGGBN-DTESEBARSA-N
    • SMILES： [C@@]12([H])[C@@]3([C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]4([H])[C@@](CC1)(C)[C@@H]([C@H](C)/C=C/[C@H](C(C)C)CC)CC4)C[C@H]3O)C2

Experimental Properties

  • Density: 1.01±0.1 g/cm3(Predicted)
  • Boiling Point: 493.8±14.0 °C(Predicted)
  • pka: 15.08±0.70(Predicted)

3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Methyl ethyl ketone ,  Water
Reference
Synthesis of brassinolide. Part II. A simple synthesis of steroidal 3α,5-cyclo-6-ones and their efficient transformation to steroidal 2-en-6-ones
Aburatani, Masakazu; et al, Synthesis, 1987, (2), 181-3

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Methyl ethyl ketone
2.1 Reagents: Sodium bicarbonate Solvents: Methyl ethyl ketone ,  Water
Reference
Synthesis of brassinolide. Part II. A simple synthesis of steroidal 3α,5-cyclo-6-ones and their efficient transformation to steroidal 2-en-6-ones
Aburatani, Masakazu; et al, Synthesis, 1987, (2), 181-3

3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)- Raw materials

3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)- Preparation Products

3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)- Related Literature

58274-46-7 (3,5-Cyclostigmast-22-en-6-ol, (3α,5R,6β,22E)-) Related Products

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