| SpectraBase Spectrum ID |
DwzXjocwcrB |
| Name |
N(a)-t-Butylcarbonyltetrahydroalstonine cis-N(b)-oxide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H32N2O6 |
| InChI |
InChI=1S/C26H32N2O6/c1-15-19-13-28(31)11-10-17-16-8-6-7-9-21(16)27(25(30)34-26(2,3)4)23(17)22(28)12-18(19)20(14-33-15)24(29)32-5/h6-9,14-15,18-19,22H,10-13H2,1-5H3/t15-,18-,19-,22-,28+/m0/s1 |
| InChIKey |
XIMDSXKMQDGZAZ-SBKGOFJPSA-N |
| Molecular Weight |
468.550 g/mol |
| SMILES |
c12[n](c3c(c1CC[N@@+]1([C@]2(C[C@]2([C@@](C1)([C@@](OC=C2C(=O)OC)(C)[H])[H])[H])[H])[O-])cccc3)C(OC(C)(C)C)=O |
| SPLASH |
splash10-0udi-0009000000-322deeb2514b37901ef5 |
| Source of Spectrum |
H1-41-359-5 |
| Synonyms |
(11S,11aS,12S,12aR)-8-(S)-Methyl-6a-oxy-5,6,7a,8,11a,12,12a,12b-octahydro-4bH,7H-9-oxa-6a,13-diaza-indeno[2,1-a]anthracene-11,13-dicarboxylic acid 13-tert-butyl ester 11-methyl ester |
| Wiley ID |
757036 |
