| SpectraBase Spectrum ID |
8YX8KtttBrh |
| Name |
2H,16H-1,24-Etheno-6,10:11,15-dimethenopyrido[2',3':17,18]oxacycloei cosino[2,3,4-ij]isoquinoline, rodiasine deriv. |
| Alternate Name(s) |
Rodiasine, O7-demethyl-15'-oxo-, (1'.alpha.)-
(-)-Oxandrine
(1R,14S)-6,21-dihydroxy-9,20,25-trimethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1(3,7).1(8,12).1(14,18).0(22,33).0(27,31)]pentatriaconta-3(35),4,6,8(34),9,11,18(33),19,21,24,26,31-dodecaen-2-one |
| CAS Registry Number |
104778-24-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H38N2O7 |
| InChI |
InChI=1S/C37H38N2O7/c1-38-12-11-22-18-32(45-5)36(42)37-33(22)27(38)15-20-6-9-29(43-3)26(14-20)25-16-23(7-8-28(25)40)35(41)34-24-19-31(46-37)30(44-4)17-21(24)10-13-39(34)2/h6-9,14,16-19,27,34,40,42H,10-13,15H2,1-5H3/t27-,34+/m0/s1 |
| InChIKey |
XCZPVAXCZZECDL-NDOVKIIASA-N |
| Molecular Weight |
622.718 g/mol |
| SMILES |
Oc1c2c3[C@](Cc4cc(-c5c(ccc(C([C@]6(c7cc(O2)c(cc7CCN6C)OC)[H])=O)c5)O)c(cc4)OC)(N(CCc3cc1OC)C)[H] |
| SPLASH |
splash10-0006-0900001000-57068e33b965a904fa9f |
| Source of Spectrum |
I-64-1394-9 |
| Wiley ID |
1411677 |
