| SpectraBase Compound ID | 9dZay9QfE7Z |
|---|---|
| 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-VAXTUFLJSA-N |
| Mol Weight | 648.7 g/mol |
| Molecular Formula | C37H44O10 |
| Exact Mass | 648.293448 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IyFABEi4TT |
|---|---|
| Name | Yuanhuacine |
| CAS Registry Number | 60195-70-2 |
| Copyright | Copyright © 2020-2024 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-VAXTUFLJSA-N |
| Molecular Weight | 648.749 g/mol |
| SMILES | OCC12C(C3C4O[C@@]5(OC4(C(C([C@@]3(C3C(C2O)(C(C(=C3)C)=O)O)O5)C)OC(=O)c2ccccc2)C(C)=C)\C=C\C=C\CCCCC)O1 |
| SPLASH | splash10-0zfr-0952001000-c844e86257331779cc78 |
| Source of Spectrum | W5-1989-38127-27409 |
| Synonyms | From Gnidia Gnidilatidin Odoracin Simplexin, 12-(benzoyloxy)-22,23,24,25-tetradehydro-, (12-beta,22E,24E)- Stillingia factor s(sub 6) Yuanhuacin Yuanhuacium ester A Yuanhuatie GNIDIA B644130K130 ORIGIN |
| Wiley ID | 1413034 |