| SpectraBase Spectrum ID |
FIjYdbCTXPp |
| Name |
Swietenitin R |
| Alternate Name(s) |
(2S,3R)-(1R,4aR,4bR,7aR,8S,9S,10S,10aS,14aS,14bS,16aR,19R)-1-(furan-3-yl)-8-hydroxy-6,10,16a-trimethyl-3,12-dioxo-19-(propionyloxy)tetradecahydro-6,14b-epoxy-4b,8:7a,10-dimethano[1,3]dioxepino[4,5-f:7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H42O14 |
| InChI |
InChI=1S/C36H42O14/c1-7-21(37)45-26-35(41)25(46-27(40)30(5)17(2)47-30)29(4)15-34(35)32(16-43-22(38)12-19(29)32)33-10-9-28(3)20(36(26,33)50-31(6,48-33)49-34)13-23(39)44-24(28)18-8-11-42-14-18/h8,11,14,17,19-20,24-26,41H,7,9-10,12-13,15-16H2,1-6H3/t17-,19+,20-,24+,25+,26-,28-,29-,30+,31-,32+,33+,34-,35+,36-/m1/s1 |
| InChIKey |
FWMPVVKKOCUNSO-VXQROGPRSA-N |
| Literature Reference DOI |
10.1248/cpb.59.458 |
| Molecular Weight |
698.718 g/mol |
| SMILES |
O[C@]12[C@@](OC([C@]3(C)[C@@](C)(O3)[H])=O)([C@@]3(C)[C@]4([C@@]5([C@]1(O[C@]1(O[C@]55[C@@](O1)([C@@]1(CC(O[C@]([C@]1(C)CC5)(c1cocc1)[H])=O)[H])[C@@]2(OC(CC)=O)[H])C)C3)COC(C4)=O)[H])[H] |
| SPLASH |
splash10-0532-9001111000-6929dec5e567fa6a216c |
| Source of Spectrum |
E1-59-464-5 |
| Wiley ID |
1743726 |
