| SpectraBase Spectrum ID |
AwiWxDuxKbo |
| Name |
Dehydrobruceantinol |
| Alternate Name(s) |
Methyl (2S,3R,6R,13S,14R,15R,16S,17S)-3-{[(2E)-4-(acetyloxy)-3,4-dimethyl-2-pentenoyl]oxy}-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0(1,6).0(2,17).0(8,13)]nonadeca-8,11-diene-17-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H36O13 |
| InChI |
InChI=1S/C30H36O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,10,17,20-24,32,35-36H,9,11H2,1-7H3/b12-8+/t17-,20-,21-,22-,23-,24+,28+,29?,30+/m1/s1 |
| InChIKey |
MJOFLSVJDZIFKV-WPNSXGFISA-N |
| Molecular Weight |
604.605 g/mol |
| SMILES |
O[C@]1([C@@]([C@@]2([C@@]3(C(=C(C(C(=C3)O)=O)C)C[C@@]3(C22[C@]([C@@]1(OC2)C(=O)OC)([C@](C(O3)=O)(OC(\C=C\(C(OC(=O)C)(C)C)C)=O)[H])[H])[H])C)[H])(O)[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-0ef7ad6495575f93b931 |
| Source of Spectrum |
AJ-65-2688-2 |
| Wiley ID |
771622 |
