Ocotillone

Base Information

• Chemical Name: Ocotillone
• CAS No.: 19865-86-2
• Molecular Formula: C30H50O3
• Molecular Weight: 458.72
• ChEMBL ID: CHEMBL224139
• DSSTox Substance ID: DTXSID701318405
• Metabolomics Workbench ID: 127459
• Nikkaji Number: J15.875E
• Wikidata: Q27138611
• Mol file: 19865-86-2.mol

Synonyms:ocotillone;19865-86-2;CHEBI:70271;(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;(24R)-20,24-Epoxy-25-hydroxy-5alpha-dammaran-3-one;22549-21-9;Ocotillon-II;CHEMBL224139;DTXSID701318405;FS-9615;(24R)-25-hydroxy-20,24-epoxydammaran-3-one;Q27138611

Chemical Property of Ocotillone

Chemical Property:

• PSA: 46.53000
• LogP: 6.94920
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 458.37599545
• Heavy Atom Count: 33
• Complexity: 830

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C
• Isomeric SMILES: C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)[C@@]5(CC[C@@H](O5)C(C)(C)O)C

Technology Process of Ocotillone

There total 6 articles about Ocotillone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-epiocotillol (5986-39-0,19865-92-0,19942-04-2,28506-81-2,35761-53-6,54911-09-0,67253-01-4,116558-24-8) → ocotillone (19132-84-4,19865-86-2,19865-90-8,22549-21-9,35761-54-7,54911-11-4,73346-67-5)

Guidance literature:

With pyridine; chromium(VI) oxide; at 20 ℃; for 24h;

DOI:10.1007/BF00568370

Reference yield:

(24R)-20,24,25-trihydroxydammaran-3-one (1308286-55-6) → ocotillone (19865-86-2)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; at 25 ℃; for 24h;

DOI:10.1002/hlca.201000286

Reference yield:

(20R,24R)-epoxydammaran-3β,25-diol (54911-09-0) → (20R,24R)-ocotillone (19132-84-4,19865-86-2,19865-90-8,22549-21-9,35761-54-7,73346-67-5,54911-11-4)

Guidance literature:

With pyridine; chromium(VI) oxide; In dichloromethane; Ambient temperature;

upstream raw materials:

(24R)-20,24,25-trihydroxydammaran-3-one

3-epiocotillol

(20R,24R)-epoxydammaran-3β,25-diol

3β,25-dihydroxy-(20R,24R)-epoxydammaran-16-one

Downstream raw materials:

ocotillol

Acetic acid (3S,5R,8R,9R,10R,14R,17S)-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydro-furan-2-yl]-4,4,8,10,14-pentamethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester

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