CID 129295239

C30H38O5 — CID 129295239

IUPAC—
SMILESCOc1ccc(C2=CC3(C)C(CCC34OCCO4)C3CC=C4CC5(CCC4(C)C23)OCCO5)cc1
InChIInChI=1S/C30H38O5/c1-27-12-13-29(32-14-15-33-29)18-21(27)6-9-23-25-10-11-30(34-16-17-35-30)28(25,2)19-24(26(23)27)20-4-7-22(31-3)8-5-20/h4-8,19,23,25-26H,9-18H2,1-3H3
InChIKeyRQRQZJSMYSUZNY-UHFFFAOYSA-N
MW478.63 g/mol
LogP5.75
Rot. Bonds2

About CID 129295239

CID 129295239 (PubChem CID 129295239) has the molecular formula C30H38O5 and a molecular weight of 478.63 g/mol.

Molecular Properties

Compound NameCID 129295239
PubChem CID129295239
Molecular FormulaC30H38O5
Molecular Weight478.63 g/mol
Exact Mass478.27
IUPAC Name—
SMILESCOc1ccc(C2=CC3(C)C(CCC34OCCO4)C3CC=C4CC5(CCC4(C)C23)OCCO5)cc1
InChIInChI=1S/C30H38O5/c1-27-12-13-29(32-14-15-33-29)18-21(27)6-9-23-25-10-11-30(34-16-17-35-30)28(25,2)19-24(26(23)27)20-4-7-22(31-3)8-5-20/h4-8,19,23,25-26H,9-18H2,1-3H3
InChIKeyRQRQZJSMYSUZNY-UHFFFAOYSA-N
XLogP5.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 129295239 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

CID 125035711
CID 125035711
CID 22799609
CID 22799609
(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
(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
CID 40544151
CID 40544151
CID 11872269
CID 11872269
(8S,9S,10R,13S,14R,17R)-17-hydroxy-17-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10,13-dimethylspiro[1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-one
CID 125036426
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
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
CID 158203230
CID 158203230
[(17'S)-17'-acetyl-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl] acetate
CID 117066290
(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

Frequently Asked Questions

What is the IUPAC name of CID 129295239?
The IUPAC name of CID 129295239 (CID 129295239) is not available.
What is the SMILES notation for CID 129295239?
The canonical SMILES for CID 129295239 is COc1ccc(C2=CC3(C)C(CCC34OCCO4)C3CC=C4CC5(CCC4(C)C23)OCCO5)cc1.
What is the InChIKey of CID 129295239?
The InChIKey is RQRQZJSMYSUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O5/c1-27-12-13-29(32-14-15-33-29)18-21(27)6-9-23-25-10-11-30(34-16-17-35-30)28(25,2)19-24(26(23)27)20-4-7-22(31-3)8-5-20/h4-8,19,23,25-26H,9-18H2,1-3H3.
What are the key properties of CID 129295239?
CID 129295239 has a molecular weight of 478.63 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129295239 is sourced from PubChem (CID 129295239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).