(2R,3aR,5Z,9Z,12aS)-3a,6,10-trimethyl-1-propan-2-ylidene-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-2-ol

Base Information

• Chemical Name: (2R,3aR,5Z,9Z,12aS)-3a,6,10-trimethyl-1-propan-2-ylidene-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-2-ol
• CAS No.: 153081-59-5
• Molecular Formula: C₂₀H₃₂O
• Molecular Weight: 288.473
• Mol file: 153081-59-5.mol

Synonyms:isopalominol

Chemical Property of (2R,3aR,5Z,9Z,12aS)-3a,6,10-trimethyl-1-propan-2-ylidene-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-2-ol

Chemical Property:

• Vapor Pressure: 7.02E-08mmHg at 25°C
• Boiling Point: 395.1°Cat760mmHg
• PKA: 14.87±0.70(Predicted)
• Flash Point: 168.3°C
• PSA: 20.23000
• Density: 0.944g/cm³
• LogP: 5.56660
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 288.245315640
• Heavy Atom Count: 21
• Complexity: 476

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(=CCC2(CC(C(=C(C)C)C2CC1)O)C)C
• Isomeric SMILES: C/C/1=C/CC/C(=C\C[C@@]2(C[C@H](C(=C(C)C)[C@H]2CC1)O)C)/C

Technology Process of (2R,3aR,5Z,9Z,12aS)-3a,6,10-trimethyl-1-propan-2-ylidene-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-2-ol

There total 3 articles about (2R,3aR,5Z,9Z,12aS)-3a,6,10-trimethyl-1-propan-2-ylidene-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulen-2-ol 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: 46.4%

13-Keto-1(S),11(R)-dolabell-3(E),7(E),12(18)-triene (82798-98-9) → 13S-epi-isopalominol (153081-59-5) + isopalominol (153081-59-5)

Guidance literature:

With sodium tetrahydroborate; at 20 ℃; for 3h; Reagent/catalyst;

DOI:10.1021/acs.jnatprod.1c00199

Reference yield: 46.4%

13-Keto-1(S),11(R)-dolabell-3(E),7(E),12(18)-triene (82798-98-9) → 13S-epi-isopalominol (153081-59-5) + isopalominol (153081-59-5)

Guidance literature:

With sodium tetrahydroborate; at 20 ℃; for 3h; Reagent/catalyst;

DOI:10.1021/acs.jnatprod.1c00199

Reference yield: 31.0%

13-keto-1(S),11(R)-dolabella-3(E),7(E),12(18)-triene (82798-98-9) → (6E,10E)-(2S,3aR,12aS)-3-Isopropylidene-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydro-cyclopentacycloundecen-2-ol (153081-59-5) + (6E,10E)-(2R,3aR,12aS)-3-Isopropylidene-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydro-cyclopentacycloundecen-2-ol

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; dichloromethane; for 1h;

DOI:10.1021/jo00010a039

upstream raw materials:

13-keto-1(S),11(R)-dolabella-3(E),7(E),12⁽¹⁸⁾-triene

13-Keto-1(S),11(R)-dolabell-3(E),7(E),12⁽¹⁸⁾-triene

Downstream raw materials:

18-hydroxy-(1S^*,11R^*)-dolabella-3(E),7(E),12(E)-triene

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