Basic information
- CAS
596-69-0- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CO- InChIKey
QFNCSEWPJSDMED-OFELHODLSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Names & identifiers
- Preferred name
- 18-Hydroxypregn-4-ene-3,20-dione
- IUPAC
- (8R,9S,10R,13R,14S,17S)-17-acetyl-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 18-Hydroxyprogesterone
- Molecular formula
- C21H30O3
- Molecular weight
- 330.46
Names & synonyms
18-Hydroxyprogesterone596-69-018-Hydroxypregn-4-ene-3,20-dioneDTXSID80975005RefChem:79376DTXCID901402418209-889-118-Hydroxypregn-4-ene-3,20-dione;EINECS 209-889-1SCHEMBL57228218-Hydroxypregn-4-ene-3,20-dione #(8R,9S,10R,13R,14S,17S)-17-acetyl-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Show more names
-Hydroxyprogesterone18α-Hydroxyprogesterone(8R,9S,10R,13R,14S,17S)-17-acetyl-10-methyl-13-methylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(8R,9S,10R,13R,14S,17S)-17-ethanoyl-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Pregn-4-ene-3,20-dione, 18-hydroxy-NS00043730
Database identifiers
- CAS
596-69-0- PubChem CID
- 101786
- DTXSID
DTXSID80975005- EC Number
- 209-889-1
- Nikkaji
- J252.485F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- Melting point
- 159 · 159-160 °C
- Boiling point
- 493.4 · 493.4±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- solubility
- Chlorofrom (Slightly), Methanol (Sligthly)
- pka
- 15.09 · 15.09±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses18α-Hydroxyprogesterone is a steroid hormone related to Progesterone (P755900) which is produced by the corpus luteum. It induces maturation and secretory activity of the uterine endothelium; suppresses ovulation. Progesterone is implicated in the etiology of breast cancer.
Suppliers5 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
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Compound notes
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