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Year of first isolation: |
2021 |
| Formula: | C21H32O4 |
| Molecular weight: | 348 |
| Occurence in plants: |
Cyanotis arachnoidea [Commelinaceae] »  ![Wikipedia: Cyanotis arachnoidea [Commelinaceae]](/images/wikipedia.png)
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| Occurence in animals: |
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| Canonical SMILES | | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C[C@@H](O[H])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O[H])O[H])C)C » 
| | IUPAC Name | (2S,3R,5R,10R,13S,14S,17S)-2,3-dihydroxy-17-((S)-1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | VEFOZAXGMUOADG-OQHPEOFGSA-N | | InChI | InChI=1S/C21H32O4/c1-11(22)13-4-5-14-12-8-17(23)16-9-18(24)19(25)10-21(16,3)15(12)6-7-20(13,14)2/h8,11,13-16,18-19,22,24-25H,4-7,9-10H2,1-3H3/t11-,13-,14+,15+,16+,18-,19+,20-,21-/m1/s1 |
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| HRESIMS (positive ion mode) m/z
| 349.23741 [M+H]+, calculated for C21H33O4 349.23734 |
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| DMSO-d6 | | 01 | 36.3 | | 02 | 66.6 | | 03 | 66.6 | | 04 | 31.9 | | 05 | 49.8 | | 06 | 201.9 | | 07 | 123.5 | | 08 | 166.0 | | 09 | 34.0 | | 10 | 37.6 | | 11 | 20.8 | | 12 | 34.7 | | 13 | 44.5 | | 14 | 54.3 | | 15 | 32.4 | | 16 | 21.9 | | 17 | 55.3 | | 18 | 19.7 | | 19 | 24.0 | | 20 | 65.3 | | 21 | 23.2 |
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| DMSO-d6 | | 01-Hɑ | 1.60 | | 01-Hβ | 1.24 (t, 12.5) | | 02-Hɑ | 3.71 | | 03-Hɑ | 3.74 | | 04-Hɑ | 1.43 | | 04-Hβ | 1.48 | | 05-Hɑ | 2.16 (dd,12.5, 4.3) | | 05-Hβ | 2.16 (dd,12.5, 4.3) | | 07-H | 5.60 (d, 2.3) | | 09-H | 2.75 (ddd, 11.0, 5.0, 2.0) | | 11-Hɑ | 1.65 | | 11-Hβ | 1.45 | | 12-Hɑ | 1.62 | | 12-Hβ | 1.25 | | 14-Hβ | 2.54 (t, 9.0) | | 15-Hɑ | 1.80 | | 15-Hβ | 1.62 | | 16-Hɑ | 1.75 | | 16-Hβ | 1.79 | | 17-Hɑ | 1.42 | | 18-Me | 1.00 (s) | | 19-Me | 0.80 (s) | | 20-H | 3.89 (qdd, 6.0, 4.6, 2.2) | | 21-Me | 1.00 (d, 6.0) |
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| M.P. | — °C ; | | [α]D25 | +11.5° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | | | UV (MeOH) λ max (log ε) | 245 nm (-) ; |
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Permanent link to this datasheet: 14β,20(S)-14-DEOXY-20-HYDROXY-POSTSTERONE
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