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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=C3C2=CC[C@@]4(C)[C@@]3(O)CC[C@]4([H])[C@](C)([C@H](O)CCC(C)C)O)=O)([H])C[C@@H](OC(C)=O)[C@@H](O)C1 » 
| | IUPAC Name | (2S,3R,5R,10S,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-2,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | FSDNKUYDJGLPHH-KPPSKRDFSA-N | | InChI | InChI=1S/C29H44O7/c1-16(2)7-8-25(33)28(6,34)24-10-12-29(35)19-13-21(31)20-14-23(36-17(3)30)22(32)15-26(20,4)18(19)9-11-27(24,29)5/h9,13,16,20,22-25,32-35H,7-8,10-12,14-15H2,1-6H3/t20-,22-,23+,24-,25+,26+,27+,28+,29+/m0/s1 |
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| EI-MS m/z (relative intensity %) | 505.3 (M+H, 87.4), 469 (19.5), 451.2 (66.7), 409.1 (11.1), 391.3 (10.1), 342.9 (14.0), 341.1 (100), 308.9 (10.3), 283 (13.3), 281 (30.2) |
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| CD3OD | | 01 | 38.4 | | 02 | 57.2 | | 03 | 71.7 | | 04 | 33.3 | | 05 | 52.3 | | 06 | 206.0 | | 07 | 119.1 | | 08 | 156.7 | | 09 | 135.7 | | 10 | 40.9 | | 11 | 134.4 | | 12 | 39.2 | | 13 | 48.0 | | 14 | 84.5 | | 15 | 31.5 | | 16 | 21.8 | | 17 | 50.6 | | 18 | 18.2 | | 19 | 31.6 | | 20 | 77.7 | | 21 | 20.9 | | 22 | 78.1 | | 23 | 30.6 | | 24 | 37.7 | | 25 | 29.3 | | 26 | 22.9 | | 27 | 23.5 | | 28 | 21.3 | | 29 | 172.7 |
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| CD3OD | | 01-Ha | 2.23 | | 01-Hb | 1.70 | | 02-Ha | 3.86 | | 03-He | 5.05 | | 04-Ha | 1.62 | | 04-Hb | 1.84 | | 05-H | 2.30 | | 07-H | 5.77 | | 09-H | — | | 11-H | 6.32 | | 12-Ha | 2.73 | | 12-Hb | 2.43 | | 15-Ha | 1.81 | | 15-Hb | 1.97 | | 16-Ha | 1.79 | | 16-Hb | 2.01 | | 17-H | 2.48 | | 18-Me | 0.90 | | 19-Me | 1.14 | | 21-Me | 1.19 | | 22-H | 3.34 | | 23-Ha | 1.57 | | 23-Hb | 1.24 | | 24-Ha | 1.49 | | 24-Hb | 1.24 | | 25-H | 1.58 | | 26-Me | 0.92 | | 27-Me | 0.93 | | 28-Me | 2.12 | | 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: DACRYHAINANSTERONE 3-ACETATE
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