| SpectraBase Spectrum ID |
CFXN9sDI5N6 |
| Name |
25-Methoxybrassinolide |
| Alternate Name(s) |
(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4R)-2,3-dihydroxy-5-methoxy-1,4,5-trimethylhexyl]-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 |
C29H50O7 |
| InChI |
InChI=1S/C29H50O7/c1-15(24(32)25(33)16(2)27(3,4)35-7)18-8-9-19-17-14-36-26(34)21-12-22(30)23(31)13-29(21,6)20(17)10-11-28(18,19)5/h15-25,30-33H,8-14H2,1-7H3/t15-,16+,17-,18+,19-,20-,21+,22-,23+,24+,25+,28+,29+/m0/s1 |
| InChIKey |
MUTMLUOHWMJCJT-NMOKICFASA-N |
| Molecular Weight |
510.712 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@](C(OC)(C)C)(C)[H])[H] |
| SPLASH |
splash10-0006-9000100000-85a80a60d5d85ac00532 |
| Source of Spectrum |
J-64-5497-7 |
| Wiley ID |
1530743 |
