CID 22799609

C24H32O4 — CID 22799609

IUPAC—
SMILESC#CC12CC[C@H]3[C@@H](CC=C4CC5(CCC43C)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C24H32O4/c1-3-22-8-6-19-18(20(22)7-9-24(22)27-14-15-28-24)5-4-17-16-23(25-12-13-26-23)11-10-21(17,19)2/h1,4,18-20H,5-16H2,2H3/t18-,19+,20+,21?,22?/m1/s1
InChIKeyIMGTWCZMQNMJBF-HDWDUVDUSA-N
MW384.52 g/mol
LogP4.05
Rot. Bonds

About CID 22799609

CID 22799609 (PubChem CID 22799609) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol.

Molecular Properties

Compound NameCID 22799609
PubChem CID22799609
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name—
SMILESC#CC12CC[C@H]3[C@@H](CC=C4CC5(CCC43C)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C24H32O4/c1-3-22-8-6-19-18(20(22)7-9-24(22)27-14-15-28-24)5-4-17-16-23(25-12-13-26-23)11-10-21(17,19)2/h1,4,18-20H,5-16H2,2H3/t18-,19+,20+,21?,22?/m1/s1
InChIKeyIMGTWCZMQNMJBF-HDWDUVDUSA-N
XLogP4.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile
CID 3782755
(8'S,9'S,10'R,13'R,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 11890892
CID 11872269
CID 11872269
CID 40544151
CID 40544151
(10'S,13'S)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 23828116
(8R,9R,10R,13S,14R)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile
CID 11872704
(8'R,9'S,10'R,13'S,14'S,17'S)-17'-ethynyl-17'-(1-methoxyethoxy)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]
CID 88823636
1-[(8R,9S,10R,13S,14S)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone
CID 131882874
10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 14445373
(8'R,9'R,10'R,13'S,14'R,17'S)-10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 139024434
CID 125035711
CID 125035711
1-[(8R,9S,10R,13S,14R,17R)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone
CID 124898831

Frequently Asked Questions

What is the IUPAC name of CID 22799609?
The IUPAC name of CID 22799609 (CID 22799609) is not available.
What is the SMILES notation for CID 22799609?
The canonical SMILES for CID 22799609 is C#CC12CC[C@H]3[C@@H](CC=C4CC5(CCC43C)OCCO5)[C@@H]1CCC21OCCO1.
What is the InChIKey of CID 22799609?
The InChIKey is IMGTWCZMQNMJBF-HDWDUVDUSA-N. The full InChI is InChI=1S/C24H32O4/c1-3-22-8-6-19-18(20(22)7-9-24(22)27-14-15-28-24)5-4-17-16-23(25-12-13-26-23)11-10-21(17,19)2/h1,4,18-20H,5-16H2,2H3/t18-,19+,20+,21?,22?/m1/s1.
What are the key properties of CID 22799609?
CID 22799609 has a molecular weight of 384.52 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22799609 is sourced from PubChem (CID 22799609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).