CID 125035711

C23H32O5 — CID 125035711

IUPAC—
SMILESC[C@@]12CCC3(CC1=CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H32O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h3,16-17,19H,4-14H2,1-2H3/t16-,17-,19+,20-,21-/m1/s1
InChIKeyRETKBEOWDBJXFZ-JBYOPCTKSA-N
MW388.50 g/mol
LogP3.61
Rot. Bonds

About CID 125035711

CID 125035711 (PubChem CID 125035711) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol.

Molecular Properties

Compound NameCID 125035711
PubChem CID125035711
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name—
SMILESC[C@@]12CCC3(CC1=CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H32O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h3,16-17,19H,4-14H2,1-2H3/t16-,17-,19+,20-,21-/m1/s1
InChIKeyRETKBEOWDBJXFZ-JBYOPCTKSA-N
XLogP3.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
CID 158203230
CID 158203230
(1'S,4'S,5'R,13'S,14'S,17'S)-5'-methylspiro[1,3-dioxolane-2,8'-18-oxapentacyclo[12.8.0.01,17.04,13.05,10]docos-10-ene]-3'-one
CID 90316928
CID 11872269
CID 11872269
(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 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
CID 22799609
CID 22799609
CID 13370497
CID 13370497
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
CID 85434738
CID 85434738
CID 129295239
CID 129295239

Frequently Asked Questions

What is the IUPAC name of CID 125035711?
The IUPAC name of CID 125035711 (CID 125035711) is not available.
What is the SMILES notation for CID 125035711?
The canonical SMILES for CID 125035711 is C[C@@]12CCC3(CC1=CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 125035711?
The InChIKey is RETKBEOWDBJXFZ-JBYOPCTKSA-N. The full InChI is InChI=1S/C23H32O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h3,16-17,19H,4-14H2,1-2H3/t16-,17-,19+,20-,21-/m1/s1.
What are the key properties of CID 125035711?
CID 125035711 has a molecular weight of 388.50 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 125035711 is sourced from PubChem (CID 125035711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).