| SpectraBase Spectrum ID |
G03VGz9lkpW |
| Name |
BATRACHOTOXININ A |
| CAS Registry Number |
19457-37-5 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
417.251523226 u |
| Formula |
C24H35NO5 |
| InChI |
InChI=1S/C24H35NO5/c1-15(26)17-6-7-23-18-5-4-16-12-22(28)9-8-20(16,2)24(18,30-22)19(27)13-21(17,23)14-25(3)10-11-29-23/h5-6,15-16,19,26-28H,4,7-14H2,1-3H3/t15?,16-,19+,20-,21?,22-,23-,24+/m0/s1 |
| InChIKey |
ZKCSFQZJDZSMCH-DVNMIQCWSA-N |
| Molecular Weight |
417.546 g/mol |
| Nominal Mass |
417 u |
| Number of Peaks |
169 |
| SMILES |
O[C@@]12C[C@]3([C@@]([C@]4(C([C@@]56C(C[C@]4(O)[H])(C(=CC6)C(C)O)CN(CCO5)C)=CC3)O2)(CC1)C)[H] |
| SPLASH |
splash10-0udi-9667000000-247128df18b7054196e5 |
| Source File Reference |
LMCM-25945-418G |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
(1R,6S,9S,12R)-22-(1-hydroxyethyl)-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.1(5,9).0(1,14).0(2,11).0(6,11)]tricosa-2,21-diene-9,12-diol |
| Wiley ID |
8_19638 |
