| SpectraBase Spectrum ID |
Kyj6XhsFynW |
| Name |
2,3-Secocholesta-4,8-diene-2-carbonitrile, 14-methyl- |
| Alternate Name(s) |
28-nor-3,4-seco-5.alpha.-lanosta-4,8-dien-3-onitrile
3-{(3R,3aR,6S,7E)-3-[(1R)-1,5-dimethylhexyl]-7-ethylidene-3a,6,9b-trimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl}propanenitrile |
| CAS Registry Number |
58545-09-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H47N |
| InChI |
InChI=1S/C29H47N/c1-8-23-13-14-26-25(27(23,5)17-10-20-30)16-19-28(6)24(15-18-29(26,28)7)22(4)12-9-11-21(2)3/h8,21-22,24H,9-19H2,1-7H3/b23-8+/t22-,24-,27+,28-,29?/m1/s1 |
| InChIKey |
MPDUPFIMLYIXOT-YRAUOPELSA-N |
| Molecular Weight |
409.702 g/mol |
| SMILES |
C12(C3=C([C@](CCC#N)(C)\C(CC3)=C\C)CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])C)C |
| SPLASH |
splash10-0a4i-0009000000-a8794e8297d8d471b9f2 |
| Source of Spectrum |
B-28-2664-0 |
| Wiley ID |
1373417 |
