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Year of first isolation: |
1964 |
| Formula: | C27H44O4 |
| Molecular weight: | 432 |
| Occurence in plants: |
Wilcoxia viperina [Cactaceae] »  ![Wikipedia: Wilcoxia viperina [Cactaceae]](/images/wikipedia.png)
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| Occurence in animals: |
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| Canonical SMILES | CC(C)CCCC(C)C1CCC2(C1(CCC3(C2=CC(=O)C4C3(CCC(C4)O)C)O)C)O | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C1[C@]2([C@H](C[C@H](C1)O)C(=O)C=C1[C@@]2(CC[C@]2([C@]1(CC[C@@H]2[C@H](C)CCCC(C)C)O)C)O)C » 
| | IUPAC Name | (3S,5S,9S,10S,13R,14S,17R)-3,9,14-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | 152743400 | InChiKey
[ ChemIDPlus: search ] | VLVFQEPKPIFGQX-FRXXJFEDSA-N | | InChI | InChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-10-12-26(30)23-16-22(29)21-15-19(28)9-11-24(21,4)27(23,31)14-13-25(20,26)5/h16-21,28,30-31H,6-15H2,1-5H3/t18-,19+,20-,21-,24+,25-,26-,27-/m1/s1 |
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| CI-MS (NH3) m/z | | | EI-MS m/z (relative intensity %) | | | HR-MS | |
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| C5D5N | | 01 | | | 02 | | | 03 | | | 04 | | | 05 | | | 06 | | | 07 | | | 08 | | | 09 | | | 10 | | | 11 | | | 12 | | | 13 | | | 14 | | | 15 | | | 16 | | | 17 | | | 18 | | | 19 | | | 20 | | | 21 | | | 22 | | | 23 | | | 24 | | | 25 | | | 26 | | | 27 | |
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| CD3OD | | 01-Ha | | | 01-He | | | 02-Ha | | | 03-He | | | 04-Ha | | | 04-He | | | 05-H | | | 07-H | | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 14-H | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | | | 19-Me | | | 20-H | | | 21-Me | | | 22-H | | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 25-H | | | 26-Me | | | 27-Me | |
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| M.P. | 197-198 °C | | [α]D26 | - 20.6 ° (c ; CHCl3) | | IR (KBr) ν max (cm-1) | | | UV (EtOH) λ max (log ε) | 229 (4.033) |
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Permanent link to this datasheet: VIPERIDINONE
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