CID 162855061

C23H38O6 — CID 162855061

IUPAC—
SMILESCOC1CC2(CCC3(CCCC4C(C)(C)C(OC(C)=O)CCC43C)O2)C(OC)O1
InChIInChI=1S/C23H38O6/c1-15(24)27-17-9-11-21(4)16(20(17,2)3)8-7-10-23(21)13-12-22(29-23)14-18(25-5)28-19(22)26-6/h16-19H,7-14H2,1-6H3
InChIKeyHUSWIFOINKVFAU-UHFFFAOYSA-N
MW410.55 g/mol
LogP4.20
Rot. Bonds3

About CID 162855061

CID 162855061 (PubChem CID 162855061) has the molecular formula C23H38O6 and a molecular weight of 410.55 g/mol.

Molecular Properties

Compound NameCID 162855061
PubChem CID162855061
Molecular FormulaC23H38O6
Molecular Weight410.55 g/mol
Exact Mass410.27
IUPAC Name—
SMILESCOC1CC2(CCC3(CCCC4C(C)(C)C(OC(C)=O)CCC43C)O2)C(OC)O1
InChIInChI=1S/C23H38O6/c1-15(24)27-17-9-11-21(4)16(20(17,2)3)8-7-10-23(21)13-12-22(29-23)14-18(25-5)28-19(22)26-6/h16-19H,7-14H2,1-6H3
InChIKeyHUSWIFOINKVFAU-UHFFFAOYSA-N
XLogP4.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze CID 162855061 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 102192763
CID 102192763
CID 86567751
CID 86567751
[(1R,2R,5S,7S,8S,10S,11S,14R,15R,18S,20R)-7-methoxy-1,2,5,15,19,19-hexamethyl-8-propan-2-yl-9-oxahexacyclo[12.8.0.02,11.05,10.08,10.015,20]docosan-18-yl] acetate
CID 132501034
[(4R,4aR,5S,7R,8aS)-5-acetyloxy-7,8,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
CID 125113886
[1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate
CID 75146143
[(2S,4aR,4bR,10aS,10bR,12aR)-7-[[(4aS,4bR,6aR,8S,10aR,10bR)-8-acetyloxy-4a,4b,7,7,10a-pentamethyl-2,3,4,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysen-1-yl]sulfanyl]-1,1,4a,10a,10b-pentamethyl-2,3,4,4b,5,6,8,9,10,11,12,12a-dodecahydrochrysen-2-yl] acetate
CID 24859927
methyl (4aS,8aS)-8-[2-[(1aS,3aS,5S,7aS,7bR)-5-acetyloxy-1a,4,4,7a-tetramethyl-2,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxiren-7b-yl]acetyl]-2,2,7-trimethyl-1,3,4,5,6,8a-hexahydronaphthalene-4a-carboxylate
CID 11994696
[(3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate
CID 21116837
[(3S,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-12-oxo-17-[(2R)-2,6,6-trimethyloxan-2-yl]-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 102008673
(9-acetyloxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,14a-tetradecahydropicen-3-yl) acetate
CID 162936655
[(1S,2S,3S,6S,7S,10S,11R,15R,16R,17R)-16-hydroxy-17-methoxy-7,11-dimethyl-18-oxapentacyclo[13.2.1.02,10.03,7.011,16]octadecan-6-yl] acetate
CID 177387808
methyl (4aS,6aR,6aR,6bR,8aR,10S,12aS,14aR,14bR)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,14a,14b-tetradecahydropicene-4a-carboxylate
CID 97305161

Frequently Asked Questions

What is the IUPAC name of CID 162855061?
The IUPAC name of CID 162855061 (CID 162855061) is not available.
What is the SMILES notation for CID 162855061?
The canonical SMILES for CID 162855061 is COC1CC2(CCC3(CCCC4C(C)(C)C(OC(C)=O)CCC43C)O2)C(OC)O1.
What is the InChIKey of CID 162855061?
The InChIKey is HUSWIFOINKVFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O6/c1-15(24)27-17-9-11-21(4)16(20(17,2)3)8-7-10-23(21)13-12-22(29-23)14-18(25-5)28-19(22)26-6/h16-19H,7-14H2,1-6H3.
What are the key properties of CID 162855061?
CID 162855061 has a molecular weight of 410.55 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162855061 is sourced from PubChem (CID 162855061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).