| SpectraBase Spectrum ID |
KHavC894UsM |
| Name |
12-O-Desmethyl-Lauberine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H38N2O6 |
| InChI |
InChI=1S/C36H38N2O6/c1-37-13-11-23-18-32(41-3)33-19-26(23)28(37)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(42-4)35(40)36(44-33)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m1/s1 |
| InChIKey |
ZRNIZOULGIUTLR-WDYNHAJCSA-N |
| Molecular Weight |
594.708 g/mol |
| SMILES |
Oc1c2c3c([C@](Cc4ccc(Oc5cc(ccc5O)C[C@@]5(c6cc(O2)c(cc6CCN5C)OC)[H])cc4)(N(CC3)C)[H])cc1OC |
| SPLASH |
splash10-001l-0009070000-8e5cc9e47a2150bdf9df |
| Source of Spectrum |
X2-54-666-294 |
| Wiley ID |
1604056 |
