CID 134237730

C24H38O5 — CID 134237730

IUPAC—
SMILESCC(O)[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H38O5/c1-16(25)23-10-9-22(26-11-12-27-22)15-17(23)3-4-18-19-6-8-24(28-13-14-29-24)21(19,2)7-5-20(18)23/h16-20,25H,3-15H2,1-2H3/t16?,17-,18+,19+,20+,21+,23-/m1/s1
InChIKeyHQINVGQNOYUJTO-SDYUBWEDSA-N
MW406.56 g/mol
LogP3.88
Rot. Bonds1

About CID 134237730

CID 134237730 (PubChem CID 134237730) has the molecular formula C24H38O5 and a molecular weight of 406.56 g/mol.

Molecular Properties

Compound NameCID 134237730
PubChem CID134237730
Molecular FormulaC24H38O5
Molecular Weight406.56 g/mol
Exact Mass406.27
IUPAC Name—
SMILESCC(O)[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H38O5/c1-16(25)23-10-9-22(26-11-12-27-22)15-17(23)3-4-18-19-6-8-24(28-13-14-29-24)21(19,2)7-5-20(18)23/h16-20,25H,3-15H2,1-2H3/t16?,17-,18+,19+,20+,21+,23-/m1/s1
InChIKeyHQINVGQNOYUJTO-SDYUBWEDSA-N
XLogP3.88
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 134237730 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

1-(17'-ethoxy-17'-methoxy-13'-methylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-10'-yl)ethanol
CID 142612906
CID 144797601
CID 144797601
CID 142612930
CID 142612930
(8'R,9'S,10'R,13'S,14'S)-17'-ethoxy-10'-(1-methoxyethyl)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 145142652
CID 88746780
CID 88746780
(5'S,8'R,9'R,10'S,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene]
CID 11872550
(5'R,8'R,9'R,10'S,13'S,14'R,17'S)-17'-ethynyl-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 124916693
(5S,8R,9S,10S,13R,14R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 11867840
(3S,5S,8R,9S,10S,13R,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 125028442
(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 99566197
(3'S,5'S,8'R,9'S,10'R,13'R,14'R)-3'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-carbonitrile
CID 162807673
(3'S,5'S,8'R,9'S,10'S,13'S,14'S)-3'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-carbonitrile
CID 99566385

Frequently Asked Questions

What is the IUPAC name of CID 134237730?
The IUPAC name of CID 134237730 (CID 134237730) is not available.
What is the SMILES notation for CID 134237730?
The canonical SMILES for CID 134237730 is CC(O)[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 134237730?
The InChIKey is HQINVGQNOYUJTO-SDYUBWEDSA-N. The full InChI is InChI=1S/C24H38O5/c1-16(25)23-10-9-22(26-11-12-27-22)15-17(23)3-4-18-19-6-8-24(28-13-14-29-24)21(19,2)7-5-20(18)23/h16-20,25H,3-15H2,1-2H3/t16?,17-,18+,19+,20+,21+,23-/m1/s1.
What are the key properties of CID 134237730?
CID 134237730 has a molecular weight of 406.56 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134237730 is sourced from PubChem (CID 134237730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).