CID 162924918

C23H32O8 — CID 162924918

IUPAC—
SMILESCO[C@H]1CC[C@]2(CC[C@@]3(O2)[C@]2(CO2)C[C@@H](OC(C)=O)[C@@H]2[C@]34CCC[C@]2(C)C(=O)OC4)O1
InChIInChI=1S/C23H32O8/c1-14(24)29-15-11-21(13-28-21)23(10-9-22(31-23)8-5-16(26-3)30-22)20-7-4-6-19(2,17(15)20)18(25)27-12-20/h15-17H,4-13H2,1-3H3/t15-,16-,17+,19+,20-,21-,22+,23+/m1/s1
InChIKeyFTCUDPODGIHZKH-VGTKKLITSA-N
MW436.50 g/mol
LogP2.47
Rot. Bonds2

About CID 162924918

CID 162924918 (PubChem CID 162924918) has the molecular formula C23H32O8 and a molecular weight of 436.50 g/mol.

Molecular Properties

Compound NameCID 162924918
PubChem CID162924918
Molecular FormulaC23H32O8
Molecular Weight436.50 g/mol
Exact Mass436.21
IUPAC Name—
SMILESCO[C@H]1CC[C@]2(CC[C@@]3(O2)[C@]2(CO2)C[C@@H](OC(C)=O)[C@@H]2[C@]34CCC[C@]2(C)C(=O)OC4)O1
InChIInChI=1S/C23H32O8/c1-14(24)29-15-11-21(13-28-21)23(10-9-22(31-23)8-5-16(26-3)30-22)20-7-4-6-19(2,17(15)20)18(25)27-12-20/h15-17H,4-13H2,1-3H3/t15-,16-,17+,19+,20-,21-,22+,23+/m1/s1
InChIKeyFTCUDPODGIHZKH-VGTKKLITSA-N
XLogP2.47
TPSA92.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S,3S,5S,9S,11S,12R,19R)-19-hydroxy-9-methoxy-12-methyl-6-methylidene-7,13-dioxo-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-3-yl] acetate
CID 71676407
CID 162912642
CID 162912642
[4-(5-acetyloxy-6,6,9a-trimethyl-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzofuran-4-yl)-6,6,9a-trimethyl-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzofuran-5-yl] acetate
CID 162898107
CID 10740223
CID 10740223
CID 101077826
CID 101077826
[(2S,4R,5S,8S)-2,8-dimethyl-3-oxatetracyclo[5.3.3.01,7.02,4]tridecan-5-yl] acetate
CID 102483802
[(1S,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] acetate
CID 10678728
CID 162888514
CID 162888514
(3b,6,6,9a-tetramethyl-1-oxo-3,4,5,5a,7,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran-10-yl) acetate
CID 74432106
methyl (1R,5S,6S,8R,9S,11S,12R,13R)-5,13-diacetyloxy-12-bromo-11-methyl-16-oxospiro[15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-6,2'-oxirane]-9-carboxylate
CID 10554471
N-[(2,5-dimethoxyoxolan-2-yl)methyl]acetamide
CID 10888981
(1R,2R,4R,7R,8S,9S,10S)-4-hydroxy-10-methyl-5-methylidene-11-oxo-12-oxapentacyclo[8.3.3.24,7.01,9.02,7]octadecane-8-carboxylic acid
CID 162848967

Frequently Asked Questions

What is the IUPAC name of CID 162924918?
The IUPAC name of CID 162924918 (CID 162924918) is not available.
What is the SMILES notation for CID 162924918?
The canonical SMILES for CID 162924918 is CO[C@H]1CC[C@]2(CC[C@@]3(O2)[C@]2(CO2)C[C@@H](OC(C)=O)[C@@H]2[C@]34CCC[C@]2(C)C(=O)OC4)O1.
What is the InChIKey of CID 162924918?
The InChIKey is FTCUDPODGIHZKH-VGTKKLITSA-N. The full InChI is InChI=1S/C23H32O8/c1-14(24)29-15-11-21(13-28-21)23(10-9-22(31-23)8-5-16(26-3)30-22)20-7-4-6-19(2,17(15)20)18(25)27-12-20/h15-17H,4-13H2,1-3H3/t15-,16-,17+,19+,20-,21-,22+,23+/m1/s1.
What are the key properties of CID 162924918?
CID 162924918 has a molecular weight of 436.50 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162924918 is sourced from PubChem (CID 162924918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).