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Year of first isolation: |
2025 |
| Formula: | C27H40O8 |
| Molecular weight: | 492 |
| Occurence in plants: |
Tinospora cordifolia [Menispermaceae] » 
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| Occurence in animals: |
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Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | CC(C)(O)CC[C@@H](O)[C@]([C@@]1([H])CC([C@]([C@]1(C)CC2)([H])C3=C2[C@]4(C)C(C[C@@H](O)[C@@H](O)C4)=C(O)C3=O)=O)(C)O » 
| | IUPAC Name | (2S,3R,10R,13R,14S,17S)-2,3,6-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,3,4,10,11,12,13,14,16,17-decahydro-7H-cyclopenta[a]phenanthrene-7,15(2H)-dione | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | QUVLJPHOVHUQED-YJCIPFRYSA-N | | InChI | InChI=1S/C27H40O8/c1-24(2,34)8-7-19(31)27(5,35)18-11-16(29)21-20-13(6-9-25(18,21)3)26(4)12-17(30)15(28)10-14(26)22(32)23(20)33/h15,17-19,21,28,30-32,34-35H,6-12H2,1-5H3/t15-,17+,18+,19-,21-,25-,26-,27-/m1/s1 |
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| HRESIMS (negative ion mode) m/z | 491.2650 (M-H)- (calcd 491.2650) |
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| CD3OD | | 01 | 42.0 | | 02 | 70.0 | | 03 | 73.4 | | 04 | 27.2 | | 05 | 135.1 | | 06 | 144.3 | | 07 | 181.3 | | 08 | 126.4 | | 09 | 164.9 | | 10 | 42.6 | | 11 | 23.6 | | 12 | 35.0 | | 13 | 40.6 | | 14 | 54.6 | | 15 | 218.0 | | 16 | 39.0 | | 17 | 48.6 | | 18 | 27.3 | | 19 | 21.6 | | 20 | 78.0 | | 21 | 20.9 | | 22 | 77.9 | | 23 | 27.5 | | 24 | 42.0 | | 25 | 71.3 | | 26 | 28.9 | | 27 | 29.9 |
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| CD3OD | | 01-Ha | 2.32 (dd, 14.3, 2.8) | | 01-Hb | 1.32 (m) | | 02-Ha | 4.00 (d, 4.2) | | 03-He | 3.55 (dt, 12.3, 4.2) | | 04-Ha | 3.16 (dd, 12.3, 4.2) | | 04-Hb | 2.54 (t, 12.3) | | 05-H | - | | 07-H | - | | 09-H | - | | 11-Ha | 2.48 (m) | | 11-Hb | 2.41 (m) | | 12-Ha | 1.62 (m) | | 12-Hb | 1.57 (m) | | 14-H | 3.70 (s) | | 15-Ha | - | | 15-Hb | - | | 16-Ha | 2.76 (dd, 20.6, 10.6) | | 16-Hb | 2.38 (m) | | 17-H | 2.41 (m) | | 18-Me | 1.48 (s) | | 19-Me | 1.29 (s) | | 21-Me | 1.34 (s) | | 22-H | 3.59 (m) | | 23-Ha | 1.64 (t, 12.3) | | 23-Hb | 1.45 (m) | | 24-Ha | 1.82 (dd, 11.6, 8.6) | | 24-Hb | 1.46 (m) | | 26-Me | 1.20 (s) | | 27-Me | 1.22 (s) |
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| M.P. | — °C | | [α]D20 | + 60.2 (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3413, 2968, 2923, 1730, 1624 | | UV (MeOH) λ max (log ε) | 198 nm (4.58) ; |
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Permanent link to this datasheet: TINOSAGISTERONE A
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