Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H27O5S.Na.2H2O |
| Molecular Weight | 426.5 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Na+].[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@H](CC[C@]34C)OS([O-])(=O)=O
InChI
InChIKey=NLNMKDUYGPNWAO-OXNWJOIVSA-M
InChI=1S/C19H28O5S.Na.2H2O/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;;;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);;2*1H2/q;+1;;/p-1/t13-,14-,15-,16-,18-,19-;;;/m0.../s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C243
Created by
admin on Fri Dec 15 16:19:21 UTC 2023 , Edited by admin on Fri Dec 15 16:19:21 UTC 2023
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C77220
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300000025753
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78590-17-7
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DTXSID9045764
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E1CR8487EN
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admin on Fri Dec 15 16:19:21 UTC 2023 , Edited by admin on Fri Dec 15 16:19:21 UTC 2023
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23694217
Created by
admin on Fri Dec 15 16:19:21 UTC 2023 , Edited by admin on Fri Dec 15 16:19:21 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
