CID 138501809

C24H34O4 — CID 138501809

IUPAC—
SMILESC=C1C[C@@]2(CC)C(CCC23OCCO3)C2CCC3=CC4(CCC3C12)OCCO4
InChIInChI=1S/C24H34O4/c1-3-22-14-16(2)21-18-6-8-23(25-10-11-26-23)15-17(18)4-5-19(21)20(22)7-9-24(22)27-12-13-28-24/h15,18-21H,2-14H2,1H3/t18?,19?,20?,21?,22-/m0/s1
InChIKeyJKCMBEGUOXCRBP-BLJKDTPWSA-N
MW386.53 g/mol
LogP4.60
Rot. Bonds1

About CID 138501809

CID 138501809 (PubChem CID 138501809) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol.

Molecular Properties

Compound NameCID 138501809
PubChem CID138501809
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name—
SMILESC=C1C[C@@]2(CC)C(CCC23OCCO3)C2CCC3=CC4(CCC3C12)OCCO4
InChIInChI=1S/C24H34O4/c1-3-22-14-16(2)21-18-6-8-23(25-10-11-26-23)15-17(18)4-5-19(21)20(22)7-9-24(22)27-12-13-28-24/h15,18-21H,2-14H2,1H3/t18?,19?,20?,21?,22-/m0/s1
InChIKeyJKCMBEGUOXCRBP-BLJKDTPWSA-N
XLogP4.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 145361499
CID 145361499
(8S,9S,10R,13S,14S,17S)-13,17-diethyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 69277877
(8S,9S,10S,13S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 176520151
(9S,14S,17S)-13-ethyl-17-methyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 142858893
(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;methane
CID 24821211
ethane;(9S,14S,17S)-13-ethyl-17-methyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 142858892
(8S,9S,10R,13S,14S,17S)-17-(2-bromoethynyl)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 70476210
[(8S,9S,10R,13S,14S,17S)-17-(2-chloroethynyl)-13-ethyl-11-methylidene-3-oxo-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 70563070
(8R,9S,10R,13S,14S,17R)-17-hydroxy-13-methylspiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile
CID 12992429
(8S,9S,10R,13S,14S,17S)-13-ethyl-3-ethynyl-11-methylidene-1,2,6,7,8,9,10,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
CID 171380807
[(10R,13S,17R)-13-ethyl-17-ethynyl-11-methylidene-3-oxo-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] tridecanoate
CID 10098197
(8S,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 71587177

Frequently Asked Questions

What is the IUPAC name of CID 138501809?
The IUPAC name of CID 138501809 (CID 138501809) is not available.
What is the SMILES notation for CID 138501809?
The canonical SMILES for CID 138501809 is C=C1C[C@@]2(CC)C(CCC23OCCO3)C2CCC3=CC4(CCC3C12)OCCO4.
What is the InChIKey of CID 138501809?
The InChIKey is JKCMBEGUOXCRBP-BLJKDTPWSA-N. The full InChI is InChI=1S/C24H34O4/c1-3-22-14-16(2)21-18-6-8-23(25-10-11-26-23)15-17(18)4-5-19(21)20(22)7-9-24(22)27-12-13-28-24/h15,18-21H,2-14H2,1H3/t18?,19?,20?,21?,22-/m0/s1.
What are the key properties of CID 138501809?
CID 138501809 has a molecular weight of 386.53 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138501809 is sourced from PubChem (CID 138501809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).