| SpectraBase Spectrum ID |
BMdhxJlcQpk |
| Name |
Yuanhuacine |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H44O10 |
| InChI |
InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h10-19,23,25-26,28-30,32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,26+,28-,29+,30-,32-,33+,34-,35-,36+,37+/m1/s1 |
| InChIKey |
CGSGRJNIABXQJQ-NSCQCFIPSA-N |
| Literature Reference DOI |
10.1002/cjoc.19850030306 |
| Molecular Weight |
648.749 g/mol |
| SMILES |
O[C@]12[C@@]([C@@]3(CO)O[C@]3([C@]3([C@]4(O[C@@]5(O[C@]4([C@@]([C@]([C@@]3([C@@]1(C=C(C2=O)C)[H])O5)(C)[H])(OC(c1ccccc1)=O)[H])C(C)=C)\C=C\C=C\CCCCC)[H])[H])[H])(O)[H] |
| SPLASH |
splash10-0udi-0495002000-71fc814bf72687ac448f |
| Source of Spectrum |
SI-3-221-9 |
| Synonyms |
(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-((1E,3E)-nona-1,3-dien-1-yl)-6-oxo-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-6H-2,8b-epoxyoxireno[2'',3'':6',7']azuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-10-yl benzoate |
| Wiley ID |
1813320 |
