| SpectraBase Spectrum ID |
J0Hq4kbzuSy |
| Name |
Bruceantarin-2-one |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H30O11 |
| InChI |
InChI=1S/C28H30O11/c1-12-14-9-16-27-11-37-28(25(35)36-3,22(32)18(31)20(27)26(14,2)10-15(29)17(12)30)21(27)19(24(34)38-16)39-23(33)13-7-5-4-6-8-13/h4-8,14,16,18-22,30-32H,9-11H2,1-3H3/t14-,16+,18+,19+,20+,21+,22-,26-,27?,28-/m0/s1 |
| InChIKey |
TUKVWIYSWDDKKX-CDDZKZPTSA-N |
| Molecular Weight |
542.537 g/mol |
| SMILES |
O[C@]1([C@@]([C@@]2([C@]3(CC(C(=C([C@@]3(C[C@@]3(C22[C@]([C@@]1(OC2)C(=O)OC)([C@](C(O3)=O)(OC(=O)c1ccccc1)[H])[H])[H])[H])C)O)=O)C)[H])(O)[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-52d05059284f1c23667d |
| Source of Spectrum |
AJ-65-2688-3 |
| Synonyms |
Methyl (2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-(benzoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0(1,6).0(2,17).0(8,13)]nonadec-9-ene-17-carboxylate |
| Wiley ID |
771615 |
