Synonymous names |
TIXOCORTOL PIVALATE | Rectovalone | Tiovalon | Pivalone | Tixocortol 21-pivalate | Tixocortol pivalate [USAN] | Tixocortol pivalate (USAN) | SCHEMBL6827 | 6K28E35M3B | D06171 | CHEMBL2107112 | JO 1016 | PL009313 | ZINC4214485 | UNII-6K28E35M3B | CHEBI:63564 | Epitope ID:161747 | EINECS 259-706-4 | 55560-96-8 | 11beta,17-Dihydroxy-21-mercaptopregn-4-ene-3,20-dione 21-pivalate | S-(11beta,17-Dihydroxypregn-4-ene-3,20-dione) 21-(thiopivalate) | S-(11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl) 2,2-dimethylpropanethioate | (11beta)-11,17-dihydroxy-21-((2,2-dimethyl-1-oxopropyl)thio)pregn-4-ene-3,20-dione | (11|A)-21-[(2,2-Dimethyl-1-oxopropyl)thio]-11,17-dihydroxypregn-4-ene-3,20-dione | Pregn-4-ene-3,20-dione, 21-((2,2-dimethyl-1-oxopropyl)thio)-11,17-dihydroxy-, (11beta)- | (1S,2R,10S,11S,14R,15S,17S)-14-{2-[(2,2-DIMETHYLPROPANOYL)SULFANYL]ACETYL}-14,17-DIHYDROXY-2,15-DIMETHYLTETRACYCLO[8.7.0.0(2),?.0(1)(1),(1)?]HEPTADEC-6-EN-5-ONE |
|
Microorganism: | Yes |
IUPAC name | S-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanethioate |
SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CSC(=O)C(C)(C)C)O)C)O |
Inchi | InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1 |
Formula | C26H38O5S |
PubChem ID | 15052414 |
|
Molweight | 462.65 |
LogP | 3.96 |
Atoms | 70 |
Bonds | 73 |
H-bond Acceptor | 5 |
H-bond Donor | 2 |
Chemical Classification | |