| SpectraBase Compound ID | If720JeFzaE |
|---|---|
| InChI | InChI=1S/C30H48O6S.Na/c1-18(2)19(3)8-9-20(4)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-23(36-37(32,33)34)16-22(29)17-27(28)35-21(5)31;/h17-18,20,23-28H,3,8-16H2,1-2,4-7H3,(H,32,33,34);/q;+1/p-1/t20?,23-,24?,25?,26?,27-,28?,29-,30+;/m0./s1 |
| InChIKey | USBILTWZDITVIJ-ZZQHURTBSA-M |
| Mol Weight | 558.7 g/mol |
| Molecular Formula | C30H47NaO6S |
| Exact Mass | 558.299105 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3tE85NPfpis |
|---|---|
| Name | Annasterol sulfate |
| Alternate Name(s) | sodium;[(3S,7R,10R,13R)-7-acetyloxy-10,13-dimethyl-17-(6-methyl-5-methyleneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate sodium;[(3S,7R,10R,13R)-7-acetyloxy-10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate sodium;[(3S,7R,10R,13R)-7-acetoxy-17-(1,5-dimethyl-4-methylene-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate sodium;[(3S,7R,10R,13R)-7-acetyloxy-10,13-dimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H47NaO6S |
| InChI | InChI=1S/C30H48O6S.Na/c1-18(2)19(3)8-9-20(4)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-23(36-37(32,33)34)16-22(29)17-27(28)35-21(5)31;/h17-18,20,23-28H,3,8-16H2,1-2,4-7H3,(H,32,33,34);/q;+1/p-1/t20?,23-,24?,25?,26?,27-,28?,29-,30+;/m0./s1 |
| InChIKey | USBILTWZDITVIJ-ZZQHURTBSA-M |
| Molecular Weight | 558.750 g/mol |
| SMILES | [Na+].[C@]12(C(C3C([C@@]4(C(C[C@@](OS([O-])(=O)=O)(CC4)[H])=C[C@@]3(OC(=O)C)[H])C)CC1)CCC2C(CCC(=C)C(C)C)C)C |
| SPLASH | splash10-004i-0059000000-b088c171376d6264b2f9 |
| Source of Spectrum | AT-36-132-5 |
| Wiley ID | 853076 |