CID 138698868

C23H36O5 — CID 138698868

IUPAC—
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC5(CC[C@@]43CO)OCCO5)[C@@H]1CCC21COCO1
InChIInChI=1S/C23H36O5/c1-20-6-4-19-17(18(20)5-7-22(20)14-25-15-28-22)3-2-16-12-23(26-10-11-27-23)9-8-21(16,19)13-24/h16-19,24H,2-15H2,1H3/t16-,17+,18+,19+,20+,21-,22?/m1/s1
InChIKeyGXSVWYKOXMBAKK-FQIIQHEGSA-N
MW392.54 g/mol
LogP3.49
Rot. Bonds1

About CID 138698868

CID 138698868 (PubChem CID 138698868) has the molecular formula C23H36O5 and a molecular weight of 392.54 g/mol.

Molecular Properties

Compound NameCID 138698868
PubChem CID138698868
Molecular FormulaC23H36O5
Molecular Weight392.54 g/mol
Exact Mass392.26
IUPAC Name—
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC5(CC[C@@]43CO)OCCO5)[C@@H]1CCC21COCO1
InChIInChI=1S/C23H36O5/c1-20-6-4-19-17(18(20)5-7-22(20)14-25-15-28-22)3-2-16-12-23(26-10-11-27-23)9-8-21(16,19)13-24/h16-19,24H,2-15H2,1H3/t16-,17+,18+,19+,20+,21-,22?/m1/s1
InChIKeyGXSVWYKOXMBAKK-FQIIQHEGSA-N
XLogP3.49
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 144797601
CID 144797601
(5'R,8'R,9'S,10'R,13'S,14'S)-10'-(hydroxymethyl)-5,5,13'-trimethylspiro[1,3-dioxane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 118618542
CID 88746780
CID 88746780
(5S,8R,9R,10R,13R,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
CID 7052586
(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
CID 134237730
CID 134237730
(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,11R,13S,14R,17R)-13-(hydroxymethyl)-10-methyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-ol
CID 11874458
CID 142612930
CID 142612930
(5'R,8'R,9'S,10'S,13'S,14'S)-10'-ethyl-17'-ethylidene-5,5,13'-trimethylspiro[1,3-dioxane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]
CID 157161493
CID 69010883
CID 69010883
(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

Frequently Asked Questions

What is the IUPAC name of CID 138698868?
The IUPAC name of CID 138698868 (CID 138698868) is not available.
What is the SMILES notation for CID 138698868?
The canonical SMILES for CID 138698868 is C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC5(CC[C@@]43CO)OCCO5)[C@@H]1CCC21COCO1.
What is the InChIKey of CID 138698868?
The InChIKey is GXSVWYKOXMBAKK-FQIIQHEGSA-N. The full InChI is InChI=1S/C23H36O5/c1-20-6-4-19-17(18(20)5-7-22(20)14-25-15-28-22)3-2-16-12-23(26-10-11-27-23)9-8-21(16,19)13-24/h16-19,24H,2-15H2,1H3/t16-,17+,18+,19+,20+,21-,22?/m1/s1.
What are the key properties of CID 138698868?
CID 138698868 has a molecular weight of 392.54 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138698868 is sourced from PubChem (CID 138698868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).