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Year of first isolation: |
2025 |
| Formula: | C29H44O7 |
| Molecular weight: | 504 |
| Occurence in plants: |
Cyanotis arachnoidea [Commelinaceae] »  ![Wikipedia: Cyanotis arachnoidea [Commelinaceae]](/images/wikipedia.png)
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| Occurence in animals: |
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Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C[C@@]12[C@](C(C=C3C2CC[C@@]4(C)C3=CC[C@]4([H])[C@](C)([C@H](O)CCC(C)(O)C)O)=O)([H])C[C@@H](O)[C@@H](OC(C)=O)C1 » 
| | IUPAC Name | (2S,3R,5S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-6-oxo-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | GLQSRMNIWRCFFY-YQLIVFRNSA-N | | InChI | InChI=1S/C29H44O7/c1-16(30)36-23-15-28(5)19-9-12-27(4)18(17(19)13-21(31)20(28)14-22(23)32)7-8-24(27)29(6,35)25(33)10-11-26(2,3)34/h7,13,19-20,22-25,32-35H,8-12,14-15H2,1-6H3/t19?,20-,22-,23+,24+,25-,27+,28-,29-/m1/s1 |
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| EI-MS m/z (relative intensity %) | 505.3 (M+H, 12.8), 469.1 (11.8), 451.1 (39.5), 394.9 (3.7), 391.1 (4.5), 343 (100), 340.9 (4.8), 335.1 (5.1), 283.2 (14.7), 127.3 (3.7) |
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| CD3OD | | 01 | 41.1 | | 02 | 73.4 | | 03 | 71.0 | | 04 | 25.8 | | 05 | 54.9 | | 06 | 201.7 | | 07 | 122.4 | | 08 | 157.4 | | 09 | 52.6 | | 10 | 39.7 | | 11 | 21.8 | | 12 | 40.8 | | 13 | 48.9 | | 14 | 150.6 | | 15 | 130.1 | | 16 | 31.9 | | 17 | 59.0 | | 18 | 20.1 | | 19 | 15.4 | | 20 | 77.2 | | 21 | 20.4 | | 22 | 78.6 | | 23 | 27.3 | | 24 | 42.2 | | 25 | 71.4 | | 26 | 28.9 | | 27 | 30.1 | | 28 | 21.4 | | 29 | 172.7 |
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| CD3OD | | 01-Ha | 1.64 | | 01-Hb | 2.16 | | 02-Ha | 5.12 | | 03-He | 3.70 | | 04-Ha | 2.05 | | 04-Hb | 1.72 | | 05-H | 2.44 | | 07-H | 6.12 | | 09-H | 2.36 | | 11-Ha | 1.79 | | 11-Hb | 1.72 | | 12-Ha | 1.44 | | 12-Hb | 2.26 | | 15-H | 6.06 | | 16-Ha | 2.25 | | 16-Hb | 2.60 | | 17-H | 2.16 | | 18-Me | 1.13 | | 19-Me | 0.96 | | 21-Me | 1.24 | | 22-H | 3.32 | | 23-Ha | 1.60 | | 23-Hb | 1.30 | | 24-Ha | 1.80 | | 24-Hb | 1.43 | | 25-H | — | | 26-Me | 1.18 | | 27-Me | 1.21 | | 28-Me | 2.07 | | 29-H | — |
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| M.P. | — °C | | [α]D20 | (c ; MeOH) | | IR (KBr) ν max (cm-1) | | | UV (MeOH) λ max (log ε) | nm (-) |
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Permanent link to this datasheet: 5α-STACHYSTERONE B 2-ACETATE
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