11-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydrodispiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxolane-5',4''-[1,3]dioxolan]-3(2h)-one
Basic information
- CAS
807-05-6- Standard SMILES
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC21OCOC12COCO2- InChIKey
VVVBIGJTQWJCHV-UHFFFAOYSA-N- Molecular formula
- C23H32O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.21988874
Names & identifiers
- Preferred name
- 11-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydrodispiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxolane-5',4''-[1,3]dioxolan]-3(2h)-one
- IUPAC
- 10-Hydroxy-9a,11a-dimethyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydrodispiro[cyclopenta[a]phenanthrene-1,4'-[1,3]dioxolane-5',4''-[1,3]dioxolan]-7(3bH)-one
- English name
- NSC 119087
- Molecular formula
- C23H32O6
- Molecular weight
- 404.5
Names & synonyms
807-05-611-hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydrodispiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxolane-5',4''-[1,3]dioxolan]-3(2h)-onePregn-4-en-3-one,11-hydroxy-17,20:20,21-bis[methylenebis(oxy)]-, (11b)-11beta-Hydroxy-17,20:20,21-bis(methylenedioxy)pregn-4-en-3-oneDTXSID50297903NSC119087AKOS030242827NSC-11908710-Hydroxy-9a,11a-dimethyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydrodispiro[cyclopenta[a]phenanthrene-1,4'-[1,3]dioxolane-5',4''-[1,3]dioxolan]-7(3bH)-oneNSC 11908711-Hydroxy-17,20:20,21-bis(methylenedioxy)pregn-4-en-3-one11β-Hydroxy-17,20:20,21-bis(methylenedioxy)pregn-4-en-3-one
Show more names
11-Hydroxy-17,20:20,21-bis[methylenebis(oxy)]pregn-4-en-3-onePregn-4-en-3-one, 11-hydroxy-17,20:20,21-bis[methylenebis(oxy)]-, (11β)-
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 779
Physicochemical properties
- Melting point
- 215 · 215-217 °C
- Boiling point
- 556.519 · 556.519±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.308 · 1.308±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- soluble in Acetone, Dichloromethane
- form
- Solid
- pka
- 14.689 · 14.689±0.60(predicted)
- color
- White
- CAS DataBase Reference
- 807 · 807-05-6
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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