CID 86567751

C23H36O7 — CID 86567751

IUPAC—
SMILESCO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)[C@@H](O)C(=O)[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]23C)CO1
InChIInChI=1S/C23H36O7/c1-13-17(25)18(26)19-20(3,4)15(29-14(2)24)7-8-21(19,5)23(13)10-9-22(30-23)11-16(27-6)28-12-22/h13,15-17,19,25H,7-12H2,1-6H3/t13-,15-,16-,17-,19+,21+,22+,23-/m1/s1
InChIKeyAVQQGOZSLGRRGA-FTYYIJPOSA-N
MW424.53 g/mol
LogP2.62
Rot. Bonds2

About CID 86567751

CID 86567751 (PubChem CID 86567751) has the molecular formula C23H36O7 and a molecular weight of 424.53 g/mol.

Molecular Properties

Compound NameCID 86567751
PubChem CID86567751
Molecular FormulaC23H36O7
Molecular Weight424.53 g/mol
Exact Mass424.25
IUPAC Name—
SMILESCO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)[C@@H](O)C(=O)[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]23C)CO1
InChIInChI=1S/C23H36O7/c1-13-17(25)18(26)19-20(3,4)15(29-14(2)24)7-8-21(19,5)23(13)10-9-22(30-23)11-16(27-6)28-12-22/h13,15-17,19,25H,7-12H2,1-6H3/t13-,15-,16-,17-,19+,21+,22+,23-/m1/s1
InChIKeyAVQQGOZSLGRRGA-FTYYIJPOSA-N
XLogP2.62
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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[(1S,2R,4aS,5R,5'S,6S,8S,8aS)-2-acetyloxy-8-hydroxy-5'-(2-hydroxyethyl)-1,4a,5',6-tetramethyl-7-oxospiro[2,3,4,6,8,8a-hexahydronaphthalene-5,2'-oxolane]-1-yl]methyl acetate
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[(2S,4aR,4bS,6aS,8S,10aR,10bS,11S,12aS)-11-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4-dioxo-5,6,6a,8,9,10,10b,11-octahydro-4aH-naphtho[1,2-h]isochromen-8-yl] acetate
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[(1S,3R,5S,8S,13R,14S,17R)-3-hydroxy-5,9,9,13,14,17,20,20-octamethyl-2-oxo-22-oxahexacyclo[15.5.1.01,14.04,13.05,10.021,23]tricosan-8-yl] acetate
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[(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bS)-8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate
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[(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
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[1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate
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Frequently Asked Questions

What is the IUPAC name of CID 86567751?
The IUPAC name of CID 86567751 (CID 86567751) is not available.
What is the SMILES notation for CID 86567751?
The canonical SMILES for CID 86567751 is CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)[C@@H](O)C(=O)[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]23C)CO1.
What is the InChIKey of CID 86567751?
The InChIKey is AVQQGOZSLGRRGA-FTYYIJPOSA-N. The full InChI is InChI=1S/C23H36O7/c1-13-17(25)18(26)19-20(3,4)15(29-14(2)24)7-8-21(19,5)23(13)10-9-22(30-23)11-16(27-6)28-12-22/h13,15-17,19,25H,7-12H2,1-6H3/t13-,15-,16-,17-,19+,21+,22+,23-/m1/s1.
What are the key properties of CID 86567751?
CID 86567751 has a molecular weight of 424.53 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86567751 is sourced from PubChem (CID 86567751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).