| SpectraBase Spectrum ID |
3AnuZuJuV3E |
| Name |
(E) and (Z)3.beta.-Hydroxypregna-5,17(20)-diene-20-nitrile tetrahydro-pyranyl ether |
| Alternate Name(s) |
2-[(1S,2R,5S,10R,11S,14Z,15S)-2,15-dimethyl-5-(oxan-2-yloxy)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-ylidene]propanenitrile |
| CAS Registry Number |
58449-03-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H39NO2 |
| InChI |
InChI=1S/C27H39NO2/c1-18(17-28)22-9-10-23-21-8-7-19-16-20(30-25-6-4-5-15-29-25)11-13-26(19,2)24(21)12-14-27(22,23)3/h7,20-21,23-25H,4-6,8-16H2,1-3H3/b22-18-/t20-,21-,23-,24-,25?,26-,27+/m0/s1 |
| InChIKey |
LQMLVDSKGIFWDV-ATYWDFACSA-N |
| Molecular Weight |
409.614 g/mol |
| SMILES |
[C@@]12(\C(=C/(C#N)C)CC[C@]2([C@@]2(CC=C3[C@@]([C@]2(CC1)[H])(CC[C@](OC1OCCCC1)(C3)[H])C)[H])[H])C |
| SPLASH |
splash10-001l-8090000000-d8a699002ef94396487e |
| Source of Spectrum |
J-44-707-0 |
| Wiley ID |
1373401 |
