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Progesterone | SBID = 20 | Compound |
Structure
Molecular Properties
Interactions: |
3
|
PubChem TPSA/Å2: |
34.1 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
3.9 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
0.0 |
Number of H-Bond Acceptors: |
2.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
6.0 |
3D Volume/Å3: |
254.3 |
Sum Formula: |
C21H30O2 |
M / g/mol: |
314.469 |
Complexity: |
589.0 |
Number of Conformers: |
2.0 |
Identifiers
-
Tags:
steroid, typical guest, drug
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Name:
Progesterone
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Preferred Abbreviation:
Progesterone
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IUPAC Name:
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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CAS:
57-83-0
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CID:
5994
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InChiKey:
RJKFOVLPORLFTN-LEKSSAKUSA-N
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InChi:
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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CanoSmiles:
CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
-
IsoSmiles:
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C