| SpectraBase Spectrum ID |
4Tvn2gkBPU9 |
| Name |
Ergosta-5,22-dien-26,26,26,28,28,28-D6-3-ol, (3.beta.,22E,24S)- |
| Alternate Name(s) |
[26,28-D6]-(22E,24S) ergosta-5,22-diene-3.beta.-ol
[26,28-D6]-(22E,24S)-Ergosta-5,22-diene-3.beta.-ol |
| CAS Registry Number |
104826-06-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H40D6O |
| InChI |
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1/i1D3,3D3/t18?,19-,20+,22-,23-,24+,25-,26-,27-,28+ |
| InChIKey |
OILXMJHPFNGGTO-OUDYIOSSSA-N |
| Molecular Weight |
404.712 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](\C=C\[C@@](C(C([2D])([2D])[2D])C)(C([2D])([2D])[2D])[H])(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-0pc1-0895200000-2e257dd99795d6735ae4 |
| Source of Spectrum |
KC-1986-593-4 |
| Wiley ID |
1368822 |
