CID 23931077

C34H40O7 — CID 23931077

IUPAC—
SMILESC[C@H]1CC[C@]2(C)CC[C@H](OC(=O)c3ccccc3)C(C)(COC(=O)c3ccccc3)C2[C@@]12CC1(COC(=O)C1)CO2
InChIInChI=1S/C34H40O7/c1-23-14-16-31(2)17-15-26(41-29(37)25-12-8-5-9-13-25)32(3,20-39-28(36)24-10-6-4-7-11-24)30(31)34(23)19-33(22-40-34)18-27(35)38-21-33/h4-13,23,26,30H,14-22H2,1-3H3/t23-,26-,30?,31+,32?,33?,34+/m0/s1
InChIKeyZYOJRGXVYDKFGV-SQERSORTSA-N
MW560.69 g/mol
LogP6.01
Rot. Bonds5

About CID 23931077

CID 23931077 (PubChem CID 23931077) has the molecular formula C34H40O7 and a molecular weight of 560.69 g/mol.

Molecular Properties

Compound NameCID 23931077
PubChem CID23931077
Molecular FormulaC34H40O7
Molecular Weight560.69 g/mol
Exact Mass560.28
IUPAC Name—
SMILESC[C@H]1CC[C@]2(C)CC[C@H](OC(=O)c3ccccc3)C(C)(COC(=O)c3ccccc3)C2[C@@]12CC1(COC(=O)C1)CO2
InChIInChI=1S/C34H40O7/c1-23-14-16-31(2)17-15-26(41-29(37)25-12-8-5-9-13-25)32(3,20-39-28(36)24-10-6-4-7-11-24)30(31)34(23)19-33(22-40-34)18-27(35)38-21-33/h4-13,23,26,30H,14-22H2,1-3H3/t23-,26-,30?,31+,32?,33?,34+/m0/s1
InChIKeyZYOJRGXVYDKFGV-SQERSORTSA-N
XLogP6.01
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.69
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23931077?
The IUPAC name of CID 23931077 (CID 23931077) is not available.
What is the SMILES notation for CID 23931077?
The canonical SMILES for CID 23931077 is C[C@H]1CC[C@]2(C)CC[C@H](OC(=O)c3ccccc3)C(C)(COC(=O)c3ccccc3)C2[C@@]12CC1(COC(=O)C1)CO2.
What is the InChIKey of CID 23931077?
The InChIKey is ZYOJRGXVYDKFGV-SQERSORTSA-N. The full InChI is InChI=1S/C34H40O7/c1-23-14-16-31(2)17-15-26(41-29(37)25-12-8-5-9-13-25)32(3,20-39-28(36)24-10-6-4-7-11-24)30(31)34(23)19-33(22-40-34)18-27(35)38-21-33/h4-13,23,26,30H,14-22H2,1-3H3/t23-,26-,30?,31+,32?,33?,34+/m0/s1.
What are the key properties of CID 23931077?
CID 23931077 has a molecular weight of 560.69 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23931077 is sourced from PubChem (CID 23931077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).