| SpectraBase Spectrum ID |
FNb3gl9LNRV |
| Name |
25-Azabrassinolide |
| Alternate Name(s) |
(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4R)-4-(dimethylamino)-2,3-dihydroxy-1-methylpentyl]-8,9-dihydroxy-10a,12a-dimethylhexadecahydro-6H-indeno[4,5-d][2]benzoxepin-6-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H47NO6 |
| InChI |
InChI=1S/C27H47NO6/c1-14(23(31)24(32)15(2)28(5)6)17-7-8-18-16-13-34-25(33)20-11-21(29)22(30)12-27(20,4)19(16)9-10-26(17,18)3/h14-24,29-32H,7-13H2,1-6H3/t14-,15+,16-,17+,18-,19-,20+,21-,22+,23+,24+,26+,27+/m0/s1 |
| InChIKey |
XSUFLXJBSMEYOT-XYVSMTMWSA-N |
| Molecular Weight |
481.674 g/mol |
| SMILES |
O[C@@]([C@@]([C@]([C@]1(CC[C@]2([C@@]3(COC([C@@]4([C@](C[C@]([C@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])=O)[H])[H])[H])(C)[H])(O)[H])([C@](N(C)C)(C)[H])[H] |
| SPLASH |
splash10-00di-9000000000-074d66b623da74660378 |
| Source of Spectrum |
J-64-5498-10 |
| Wiley ID |
1530738 |
