| SpectraBase Spectrum ID |
HdfzvVvgw7c |
| Name |
Methyl ester of (3.alpha.,5.beta.,12.alpha.)-3,12-bis(nitrooxy)chol-7-en-24-oic acid |
| CAS Registry Number |
64219-18-7 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38N2O8 |
| InChI |
InChI=1S/C25H38N2O8/c1-15(5-10-23(28)33-4)19-8-9-20-18-7-6-16-13-17(34-26(29)30)11-12-24(16,2)21(18)14-22(25(19,20)3)35-27(31)32/h7,15-17,19-22H,5-6,8-14H2,1-4H3/t15-,16-,17-,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey |
AFCFJARYFKPINB-CEDZBBDZSA-N |
| Molecular Weight |
494.585 g/mol |
| SMILES |
C1=2[C@@]([C@]3(CC[C@@](ON(=O)=O)(C[C@]3(CC2)[H])[H])C)(C[C@@]([C@]2([C@]1(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)(ON(=O)=O)[H])[H] |
| SPLASH |
splash10-0159-0059000000-829ab6304012365b8f0e |
| Source of Spectrum |
J-44-4574-1 |
| Synonyms |
Methyl (3alpha,5beta,12alpha)-3,12-bis(nitrooxy)chol-7-en-24-oate |
| Wiley ID |
1397859 |
