| SpectraBase Spectrum ID |
tmhdYFaMY2 |
| Name |
(10 S)-Methylisoxazoline - adduct from Ergocalciferol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H47NO2 |
| InChI |
InChI=1S/C30H47NO2/c1-20(2)21(3)9-10-22(4)27-13-14-28-24(8-7-16-29(27,28)6)11-12-25-18-26(32)15-17-30(25)31-23(5)19-33-30/h9-12,19-22,26-28,31-32H,7-8,13-18H2,1-6H3/b10-9+,24-11+,25-12-/t21-,22+,26-,27+,28-,29+,30+/m0/s1 |
| InChIKey |
IGIYFASIRJAABE-ASIUBZGASA-N |
| Molecular Weight |
453.711 g/mol |
| SMILES |
N1C(=CO[C@@]11CC[C@@](C\C1=C/C=C/1[C@]2([C@]([C@@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])(CC2)[H])(C)CCC1)[H])(O)[H])C |
| SPLASH |
splash10-067l-9601100000-6e0705bba5477ff4a908 |
| Source of Spectrum |
U-1993-592-11 |
| Synonyms |
(5R,6Z,8S)-6-((2E)-2-{(1R,3aS,7aR)-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexenyl]octahydro-4H-inden-4-ylidene}ethylidene)-3-methyl-1-oxa-4-azaspiro[4.5]dec-2-en-8-ol |
| Wiley ID |
764995 |
