CID 163193975

C20H28O6 — CID 163193975

IUPAC—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CC[C@H](O)O1)O2
InChIInChI=1S/C20H28O6/c1-11-10-12-15-17(2,6-4-13(21)18(15,3)16(23)24-12)20(11)9-8-19(26-20)7-5-14(22)25-19/h11-12,14-15,22H,4-10H2,1-3H3/t11-,12-,14-,15-,17+,18+,19+,20-/m1/s1
InChIKeyYIBHQGQRCRBQAM-RBWJHFQSSA-N
MW364.44 g/mol
LogP2.32
Rot. Bonds

About CID 163193975

CID 163193975 (PubChem CID 163193975) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol.

Molecular Properties

Compound NameCID 163193975
PubChem CID163193975
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CC[C@H](O)O1)O2
InChIInChI=1S/C20H28O6/c1-11-10-12-15-17(2,6-4-13(21)18(15,3)16(23)24-12)20(11)9-8-19(26-20)7-5-14(22)25-19/h11-12,14-15,22H,4-10H2,1-3H3/t11-,12-,14-,15-,17+,18+,19+,20-/m1/s1
InChIKeyYIBHQGQRCRBQAM-RBWJHFQSSA-N
XLogP2.32
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

13-epicyllenin A
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13,15-diepicyllenin A
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Taraxacolide 1-O-b-D-glucopyranoside
CID 131751813
NCGC00347826-02_C22H34O6_2-Hydroxy-2'',5'',5'',8a''-tetramethyl-5-oxododecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-4''-yl acetate
CID 51136443
CID 46883182
CID 46883182
CID 46883138
CID 46883138
CID 46883183
CID 46883183
Marrulibacetal
CID 44254084
Aplyroseol 1
CID 44584708
CID 46883139
CID 46883139
CID 162656306
CID 162656306
CID 162660091
CID 162660091

Frequently Asked Questions

What is the IUPAC name of CID 163193975?
The IUPAC name of CID 163193975 (CID 163193975) is not available.
What is the SMILES notation for CID 163193975?
The canonical SMILES for CID 163193975 is C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CC[C@H](O)O1)O2.
What is the InChIKey of CID 163193975?
The InChIKey is YIBHQGQRCRBQAM-RBWJHFQSSA-N. The full InChI is InChI=1S/C20H28O6/c1-11-10-12-15-17(2,6-4-13(21)18(15,3)16(23)24-12)20(11)9-8-19(26-20)7-5-14(22)25-19/h11-12,14-15,22H,4-10H2,1-3H3/t11-,12-,14-,15-,17+,18+,19+,20-/m1/s1.
What are the key properties of CID 163193975?
CID 163193975 has a molecular weight of 364.44 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163193975 is sourced from PubChem (CID 163193975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).