Stereochemistry | ABSOLUTE |
Molecular Formula | C20H29O8S.Na |
Molecular Weight | 452.494 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12CCC(C)=C(C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)COS([O-])(=O)=O
InChI
InChIKey=PVFDPMYXCZLHKY-MLLWLMKGSA-M
InChI=1S/C20H30O8S.Na/c1-12-4-7-16-19(2,14(12)6-5-13-15(21)10-27-18(13)23)9-8-17(22)20(16,3)11-28-29(24,25)26;/h5,15-17,21-22H,4,6-11H2,1-3H3,(H,24,25,26);/q;+1/p-1/b13-5+;/t15-,16+,17-,19+,20+;/m1./s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C20H29O8S |
Molecular Weight | 429.504 |
Charge | -1 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |