| SpectraBase Spectrum ID |
Ff5MXosj1DI |
| Name |
4.beta.-Nitro-5.beta.-chloestan-3-one |
| Alternate Name(s) |
(4beta,5beta)-4-nitrocholestan-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45NO3 |
| InChI |
InChI=1S/C27H45NO3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28(30)31)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-23,25H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,25-,26-,27-/m1/s1 |
| InChIKey |
ZVGLZINDCKBKRD-BAWZUTTFSA-N |
| Molecular Weight |
431.661 g/mol |
| SMILES |
[C@@]12([C@@]([C@@](N(=O)=O)(C(CC2)=O)[H])(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C |
| SPLASH |
splash10-053v-9020100000-f82f626da469a56d182a |
| Source of Spectrum |
AJ-61-4012-13 |
| Wiley ID |
1382021 |
