| SpectraBase Spectrum ID |
8TaZsbcT1az |
| Name |
N-Acetoxy-2,3-seco-5.alpha.-cholestane-2,3-dioic acid - 2-amide |
| Alternate Name(s) |
{(3R,3aR,6S,7S)-6-{2-[(acetyloxy)amino]-2-oxoethyl}-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-7-yl}acetic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H49NO5 |
| InChI |
InChI=1S/C29H49NO5/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21(16-27(33)34)29(6,17-26(32)30-35-20(4)31)25(22)14-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3,(H,30,32)(H,33,34)/t19-,21+,22?,23-,24?,25?,28-,29+/m1/s1 |
| InChIKey |
ICAJZNKQNSPKII-NXEQQTFTSA-N |
| Molecular Weight |
491.713 g/mol |
| SMILES |
N(C(C[C@]1([C@](CC(=O)O)(CCC2C3[C@](CCC12)([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O)OC(=O)C |
| SPLASH |
splash10-0019-0089400000-ecaac0d5fcdea645a874 |
| Source of Spectrum |
G-63-1596-12 |
| Wiley ID |
749321 |
