CID 10740223

C23H36O6 — CID 10740223

IUPAC—
SMILESCOC1C[C@]2(CC[C@@]3(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]23C)C(=O)O1
InChIInChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(26-6)28-19(22)25/h14,16-18H,7-13H2,1-6H3/t14-,16-,17?,18+,21+,22-,23-/m1/s1
InChIKeyMBAXCJZDNOCWCW-JFQDPTRHSA-N
MW408.54 g/mol
LogP4.00
Rot. Bonds2

About CID 10740223

CID 10740223 (PubChem CID 10740223) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol.

Molecular Properties

Compound NameCID 10740223
PubChem CID10740223
Molecular FormulaC23H36O6
Molecular Weight408.54 g/mol
Exact Mass408.25
IUPAC Name—
SMILESCOC1C[C@]2(CC[C@@]3(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]23C)C(=O)O1
InChIInChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(26-6)28-19(22)25/h14,16-18H,7-13H2,1-6H3/t14-,16-,17?,18+,21+,22-,23-/m1/s1
InChIKeyMBAXCJZDNOCWCW-JFQDPTRHSA-N
XLogP4.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 163190142
[4-hydroxy-4-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
CID 162868301
[(1S,3S,4S,4aR,8aR)-4-hydroxy-4-[2-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
CID 162868303
[(1R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
CID 59101580
[(1S,3S,4S,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
CID 20598207
CID 163076817
CID 163076817
[(2R,4aS,4bS,8aS,10aS)-3,4a,4b,8,8-pentamethyl-2,3,4,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-yl] acetate
CID 134577052
CID 162924918
CID 162924918
[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
[(4aS,5R,6aR,7S,10aS,11aS,11bR)-7,10a-dihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,4a,5,6,6a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate
CID 23628189

Frequently Asked Questions

What is the IUPAC name of CID 10740223?
The IUPAC name of CID 10740223 (CID 10740223) is not available.
What is the SMILES notation for CID 10740223?
The canonical SMILES for CID 10740223 is COC1C[C@]2(CC[C@@]3(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]23C)C(=O)O1.
What is the InChIKey of CID 10740223?
The InChIKey is MBAXCJZDNOCWCW-JFQDPTRHSA-N. The full InChI is InChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(26-6)28-19(22)25/h14,16-18H,7-13H2,1-6H3/t14-,16-,17?,18+,21+,22-,23-/m1/s1.
What are the key properties of CID 10740223?
CID 10740223 has a molecular weight of 408.54 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10740223 is sourced from PubChem (CID 10740223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).