3beta-Acetoxyfern-9(11)-en-19beta-ol
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| Category | Others |
| Catalog number | BBF-05347 |
| CAS | |
| Molecular Weight | 484.75 |
| Molecular Formula | C32H52O3 |
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Description
It is produced by the strain of Penicillium berteriana.
Specification
| Synonyms | 3beta-Acetoxyferna-9(11)-Ene-19beta-ol; (1S,3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-1-hydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl acetate; 3β-Acetoxyfern-9(11)-en-19β-ol |
| IUPAC Name | [(1S,3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-1-hydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate |
| Canonical SMILES | CC(C)C1CC(C2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C)C)O |
| InChI | InChI=1S/C32H52O3/c1-19(2)23-18-24(34)27-30(23,7)16-17-31(8)22-10-11-25-28(4,5)26(35-20(3)33)13-14-29(25,6)21(22)12-15-32(27,31)9/h12,19,22-27,34H,10-11,13-18H2,1-9H3/t22-,23+,24-,25-,26-,27+,29+,30+,31+,32-/m0/s1 |
| InChI Key | ZFDHHJKYPBEVIK-WPVCIHFHSA-N |
Properties
| Boiling Point | 536.2±50.0°C at 760 mmHg |
| Density | 1.0±0.1 g/cm3 |
Reference Reading
1. Fernene triterpenoids from the lichen Pyxine berteriana
Marta S Maier, María L Rosso, Alejandra T Fazio, Mónica T Adler, María D Bertoni J Nat Prod. 2009 Oct;72(10):1902-4. doi: 10.1021/np900442y.
Two new fernene triterpenoids, fern-9(11)-en-3,19-dione (1) and 3beta-acetoxyfern-9(11)-en-19-one (2), together with the known 3beta-acetoxyfern-9(11)-en-19beta-ol (3) and lichexanthone (4), have been isolated from the acetone extract of the lichen Pyxine berteriana. The structures of the new compounds were established on the basis of IR, extensive 1D and 2D NMR, and MS analyses. Although several fern-9(11)-enes have been isolated from lichens, compounds 1 and 2 are the first examples of naturally occurring fernene triterpenoids with a carbonyl function at C-19.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
