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Year of first isolation: |
1999 |
| Formula: | C27H44O8 |
| Molecular weight: | 496 |
| Occurence in plants: |
Leuzea carthamoides [Asteraceae] »  ![Wikipedia: Leuzea carthamoides [Asteraceae]](/images/wikipedia.png)
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| Occurence in animals: |
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| Canonical SMILES | CC12CC(C3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O)O | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C1[C@]2([C@@H](C[C@@H]([C@H]1O)O)C(=O)C=C1[C@@H]2[C@H](C[C@]2([C@]1(CC[C@@H]2[C@](C)([C@H](O)CCC(C)(C)O)O)O)C)O)C » 
| | IUPAC Name | (2R,3S,5R,9R,10R,11S,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | 14376671 | InChiKey
[ ChemIDPlus: search ] | WSBAGDDNVWTLOM-VVSHHXAUSA-N | | InChI | InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17-,18+,19-,20-,21+,22+,24-,25+,26+,27+/m0/s1 |
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| CI-MS (NH3) m/z | | | EI-MS m/z (relative intensity %) | 460 [M - 2H2O]+, 442, 424, 409, 406, 388, 379, 373, 361, 363, 325, 99, 81 | | 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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| C5D5N | | 01-Ha | | | 01-He | | | 02-He | 4.14 (q, 3.5) | | 03-Ha | 4.25 (dt, 12, 4) | | 04-Ha | | | 04-He | | | 05-H | | | 07-H | 6.11 (br s) | | 09-H | 3.53 (m) | | 11-Ha | 4.04 (dq) | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | 2.81 (t) | | 18-Me | 1.01 (s) | | 19-Me | 1.05 (s) | | 21-Me | 1.44 (s) | | 22-H | | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 26-Me | 1.24 (s) | | 27-Me | 1.24 (s) |
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| M.P. | | | [α]D20 | | | IR (KBr) ν max (cm-1) | 3360-3470 (OH), 1650 (cyclohexenone) | | UV (EtOH) λ max (log ε) | |
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Permanent link to this datasheet: LESTERONE
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