Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H31O8.Na |
Molecular Weight | 482.4986 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 7 / 7 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12CC[C@H](C(=O)COC(=O)CCC([O-])=O)[C@]1(C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C)C=O
InChI
InChIKey=SUPHWPAZGBLXAK-HWKOEJDLSA-M
InChI=1S/C25H32O8.Na/c1-24-9-8-15(27)10-14(24)2-3-16-17-4-5-18(25(17,13-26)11-19(28)23(16)24)20(29)12-33-22(32)7-6-21(30)31;/h10,13,16-19,23,28H,2-9,11-12H2,1H3,(H,30,31);/q;+1/p-1/t16-,17-,18+,19-,23+,24-,25+;/m0./s1
Molecular Formula | C25H31O8 |
Molecular Weight | 459.5088 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 6 / 7 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:48:10 GMT 2023
by
admin
on
Sat Dec 16 10:48:10 GMT 2023
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Record UNII |
M5J88AF42L
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Record Status |
Validated (UNII)
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Record Version |
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-
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91617598
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M5J88AF42L
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admin on Sat Dec 16 10:48:10 GMT 2023 , Edited by admin on Sat Dec 16 10:48:10 GMT 2023
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