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Year of first isolation: |
2002 |
| Formula: | C27H44O6 |
| Molecular weight: | 464 |
| 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 ] | C1[C@]2([C@@](C[C@H](C1)O)(C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)C)O)O)O)C)O)C » 
| | IUPAC Name | (3S,5S,9R,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-3,5,14-trihydroxy-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 ] | RBGYQRDZQHQLFS-UMMQJOAPSA-N | | InChI | InChI=1S/C27H44O6/c1-16(2)6-7-21(29)25(5,31)20-10-13-26(32)19-14-22(30)27(33)15-17(28)8-11-23(27,3)18(19)9-12-24(20,26)4/h14,16-18,20-21,28-29,31-33H,6-13,15H2,1-5H3/t17-,18-,20-,21+,23+,24+,25+,26+,27+/m0/s1 |
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| HR-MS | | | EI-MS m/z (relative intensity %) | | | CI-MS (NH3) m/z | |
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| C5D5N | | 01 | 31.3 | | 02 | 31.8 | | 03 | 67.0 | | 04 | 37.7 | | 05 | 77.5 | | 06 | 200.7 | | 07 | 120.2 | | 08 | 165.9 | | 09 | 40.3 | | 10 | 41.6 | | 11 | 21.3 | | 12 | 32.1 | | 13 | 48.1 | | 14 | 84.0 | | 15 | 31.7 | | 16 | 21.6 | | 17 | 60.2 | | 18 | 18.0 | | 19 | 16.1 | | 20 | 76.9 | | 21 | 21.7 | | 22 | 76.9 | | 23 | 30.3 | | 24 | 37.2 | | 25 | 28.2 | | 26 | 23.4 | | 27 | 22.3 |
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| C5D5N | | 01-Ha | | | 01-He | | | 02-Ha | | | 02-He | | | 03-He | 4.66 (m) | | 04-Ha | 2.21 (d, 12.0) | | 04-He | 2.96 (dd, 3.8, 12.0) | | 07-H | 6.18 (br, s) | | 09-H | | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | | | 19-Me | | | 21-Me | 1.59 (s) | | 22-H | | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 25-H | | | 26-Me | | | 27-Me | |
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| M.P. | °C ; | | [α]D20 | ° (c ; MeOH) | | IR (KBr) ν max (cm-1) | | | UV (EtOH) λ max (log ε) | () ; |
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Permanent link to this datasheet: CYANOSTERONE B
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