Results for:
PubChem ID: 15052414

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

Compound Details

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 nameS-[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
SMILESCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CSC(=O)C(C)(C)C)O)C)O
InchiInChI=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
FormulaC26H38O5S
PubChem ID15052414
Molweight462.65
LogP3.96
Atoms70
Bonds73
H-bond Acceptor5
H-bond Donor2
Chemical Classification

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber MelanosporumYes