CID 44582606

C25H36O4 — CID 44582606

IUPAC—
SMILESC[C@]12CCC3(CCC(=O)O3)CC1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1
InChIInChI=1S/C25H36O4/c1-22-13-14-24(10-7-20(26)28-24)15-16(22)3-4-17-18(22)5-9-23(2)19(17)6-11-25(23)12-8-21(27)29-25/h16-19H,3-15H2,1-2H3/t16?,17-,18+,19+,22+,23+,24?,25-/m1/s1
InChIKeyWNHJVYHUSOTSDL-YBNBKYDXSA-N
MW400.56 g/mol
LogP5.18
Rot. Bonds

About CID 44582606

CID 44582606 (PubChem CID 44582606) has the molecular formula C25H36O4 and a molecular weight of 400.56 g/mol.

Molecular Properties

Compound NameCID 44582606
PubChem CID44582606
Molecular FormulaC25H36O4
Molecular Weight400.56 g/mol
Exact Mass400.26
IUPAC Name—
SMILESC[C@]12CCC3(CCC(=O)O3)CC1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1
InChIInChI=1S/C25H36O4/c1-22-13-14-24(10-7-20(26)28-24)15-16(22)3-4-17-18(22)5-9-23(2)19(17)6-11-25(23)12-8-21(27)29-25/h16-19H,3-15H2,1-2H3/t16?,17-,18+,19+,22+,23+,24?,25-/m1/s1
InChIKeyWNHJVYHUSOTSDL-YBNBKYDXSA-N
XLogP5.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 44582606 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethylspiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4'-oxetane]-2',17-dione
CID 11809684
(10R,13S,17S)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 18594033
(8R,9S,10S,13R,14R,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 11888958
(8R,9R,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 7076287
(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3,3-diol
CID 152763644
(1S,3R,6R)-7,7-dimethylspiro[bicyclo[4.1.0]heptane-3,5'-oxolane]-2'-one
CID 101200321
CID 10788189
CID 10788189
(8R,9S,13S,14S,17S)-3-hydroxy-13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 11209591
(10R,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;methyl formate
CID 143813059
(2Z)-2-(3a,6-dimethyl-5'-oxo-6-propylspiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]-7-ylidene)acetaldehyde
CID 142980424
(3R,8S,9R,10R,13S,14S,17R)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 124902421
(10R,13S)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
CID 17386583

Frequently Asked Questions

What is the IUPAC name of CID 44582606?
The IUPAC name of CID 44582606 (CID 44582606) is not available.
What is the SMILES notation for CID 44582606?
The canonical SMILES for CID 44582606 is C[C@]12CCC3(CCC(=O)O3)CC1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1.
What is the InChIKey of CID 44582606?
The InChIKey is WNHJVYHUSOTSDL-YBNBKYDXSA-N. The full InChI is InChI=1S/C25H36O4/c1-22-13-14-24(10-7-20(26)28-24)15-16(22)3-4-17-18(22)5-9-23(2)19(17)6-11-25(23)12-8-21(27)29-25/h16-19H,3-15H2,1-2H3/t16?,17-,18+,19+,22+,23+,24?,25-/m1/s1.
What are the key properties of CID 44582606?
CID 44582606 has a molecular weight of 400.56 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44582606 is sourced from PubChem (CID 44582606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).