CID 101077823

C23H36O6 — CID 101077823

IUPAC—
SMILESCO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C
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(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3/t14-,16-,18+,19+,21+,22+,23-/m0/s1
InChIKeySFOHMBBFSBTGGN-FVMKRELQSA-N
MW408.54 g/mol
LogP4.00
Rot. Bonds2

About CID 101077823

CID 101077823 (PubChem CID 101077823) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol.

Molecular Properties

Compound NameCID 101077823
PubChem CID101077823
Molecular FormulaC23H36O6
Molecular Weight408.54 g/mol
Exact Mass408.25
IUPAC Name—
SMILESCO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C
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(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3/t14-,16-,18+,19+,21+,22+,23-/m0/s1
InChIKeySFOHMBBFSBTGGN-FVMKRELQSA-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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13,15-diepicyllenin A
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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
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Negundoin D
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Previtexilactone
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Lupulin B
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CID 46883138
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CID 46883183
CID 46883183

Frequently Asked Questions

What is the IUPAC name of CID 101077823?
The IUPAC name of CID 101077823 (CID 101077823) is not available.
What is the SMILES notation for CID 101077823?
The canonical SMILES for CID 101077823 is CO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C.
What is the InChIKey of CID 101077823?
The InChIKey is SFOHMBBFSBTGGN-FVMKRELQSA-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(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3/t14-,16-,18+,19+,21+,22+,23-/m0/s1.
What are the key properties of CID 101077823?
CID 101077823 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 101077823 is sourced from PubChem (CID 101077823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).