(+)-Tirucallol
(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: tirucalladienol|(+)-Tirucallol|Euphadienol|Kanzuiol|20-Epi-Euphol|Tirucalla-8,24-dien-3beta-ol|WLZ4705|KST-1A5342|HY-N2556|(13alpha,14beta,17alpha,20S)-5alpha-Lanosta-8,24-Dien-3beta-Ol|NP7045|TN1006|(20S)-(+)-triucalla-8,24-diene-3beta-ol|5alpha-Tirucallane-8,24-dien-3beta-ol|(3|A,13|A,14|A,17|A,20s)-lanosta-8,24-dien-3-ol|(13|A,14|A,17|A,20S)-5|A-Lanosta-8,24-dien-3|A-ol|(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol|Lanosta-8,24-dien-3-ol, (3beta,13alpha,14beta,17alpha,20S)-|(13a,14beta,17a,20S)-5a-Lanosta-8,24-dien-3beta-ol|(20S)-13alpha,14beta,17alpha-Lanosta-8,24-dien-3beta-ol|(3beta,13alpha,14beta,17alpha,20S)-Lanosta-8,24-dien-3-ol|(1S,3aS,5aR,7S,9aS,11aS)-3a,6,6,9a,11a-pentamethyl-1-[(2S)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-((S)-6-methylhept-5-en-2-yl)-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol|(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-((2S)-6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.38617 g/mol |
| LogP | 8.48 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 767.3 |
Chemical Identifiers
| CAS Number | 514-46-5 |
|---|---|
| SMILES | C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
Product Overview
(+)-Tirucallol (CAS 514-46-5), with molecular formula C30H50O and molecular weight 426.38617 g/mol. IUPAC: (3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
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