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Year of first isolation: |
2025 |
| Formula: | C27H42O9 |
| Molecular weight: | 510 |
| 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])C[C@H](O)[C@@]2(O)C3=CC(C([C@@]4(C)[C@@]3(O5)CC[C@@]21C)C[C@H](O)[C@]5(C4)O)=O)(C)O » 
| | IUPAC Name | (2R,3S,9S,10S,13R,14S,15S,17S)-2,3,14,15-tetrahydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,10,12,13,14,15,16,17-dodecahydro-2,9-epoxycyclopenta[a]phenanthren-6(11H)-one | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | XHTPQWORZALAIB-VOSKJEAHSA-N | | InChI | InChI=1S/C27H42O9/c1-21(2,32)7-6-18(29)24(5,33)16-12-20(31)27(35)17-11-15(28)14-10-19(30)26(34)13-23(14,4)25(17,36-26)9-8-22(16,27)3/h11,14,16,18-20,29-35H,6-10,12-13H2,1-5H3/t14?,16-,18+,19-,20-,22+,23-,24+,25+,26+,27-/m0/s1 |
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| HRESIMS (negative ion mode) m/z | 509.2752 (M-H)- (calcd 509.2756) |
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| CD3OD | | 01 | 39.1 | | 02 | 108.8 | | 03 | 72.2 | | 04 | 34.9 | | 05 | 52.9 | | 06 | 205.0 | | 07 | 123.4 | | 08 | 152.0 | | 09 | 83.2 | | 10 | 48.5 | | 11 | 31.3 | | 12 | 30.6 | | 13 | 48.4 | | 14 | 86.0 | | 15 | 71.3 | | 16 | 32.4 | | 17 | 48.6 | | 18 | 20.9 | | 19 | 18.2 | | 20 | 77.6 | | 21 | 21.0 | | 22 | 78.4 | | 23 | 27.4 | | 24 | 42.4 | | 25 | 71.3 | | 26 | 29.0 | | 27 | 29.6 |
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| CD3OD | | 01-Ha | 2.19 (d, 11.0) | | 01-Hb | 1.94 (d, 11.0) | | 02-H | - | | 03-He | 3.79 (d, 5.7) | | 04-Ha | 2.22 (m) | | 04-Hb | 1.79 (m) | | 05-H | 2.41 (d, 10.5) | | 07-H | 5.87 (s) | | 09-H | - | | 11-Ha | 1.96 (m) | | 11-Hb | 1.81 (m) | | 12-Ha | 2.25 (m) | | 12-Hb | 1.81 (m) | | 14-H | 3.70 (s) | | 15-H | 4.27 (dd, 9.1, 6.0) | | 16-Ha | 2.46 (m) | | 16-Hb | 1.50 (m) | | 17-H | 2.49 (m) | | 18-Me | 1.04 (s) | | 19-Me | 0.92 (s) | | 21-Me | 1.16 (s) | | 22-H | 3.26 (dd, 12.0, 1.7) | | 23-Ha | 1.65 (td, 12.0, 3.4) | | 23-Hb | 1.29 (m) | | 24-Ha | 1.80 (m) | | 24-Hb | 1.43 (m) | | 26-Me | 1.19 (s) | | 27-Me | 1.20 (s) |
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| M.P. | — °C | | [α]D20 | + 35.0 (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3427, 2966, 2938, 1678 | | UV (MeOH) λ max (log ε) | 225nm (4.60) ; |
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Permanent link to this datasheet: TINOSAGISTERONE B
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