CID 118719779

C30H46O4 — CID 118719779

IUPAC—
SMILESC[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)[C@H]5CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O
InChIInChI=1S/C30H46O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-22H,8-17H2,1-7H3/t18-,19-,20-,21+,22+,26-,27+,28+,29+,30-/m1/s1
InChIKeyMRFPZBMYKNLHSO-WADMXHNGSA-N
MW470.69 g/mol
LogP6.70
Rot. Bonds

About CID 118719779

CID 118719779 (PubChem CID 118719779) has the molecular formula C30H46O4 and a molecular weight of 470.69 g/mol.

Molecular Properties

Compound NameCID 118719779
PubChem CID118719779
Molecular FormulaC30H46O4
Molecular Weight470.69 g/mol
Exact Mass470.34
IUPAC Name—
SMILESC[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)[C@H]5CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O
InChIInChI=1S/C30H46O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-22H,8-17H2,1-7H3/t18-,19-,20-,21+,22+,26-,27+,28+,29+,30-/m1/s1
InChIKeyMRFPZBMYKNLHSO-WADMXHNGSA-N
XLogP6.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 118719779?
The IUPAC name of CID 118719779 (CID 118719779) is not available.
What is the SMILES notation for CID 118719779?
The canonical SMILES for CID 118719779 is C[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@@]4(C)[C@H]5CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)O2)OC1=O.
What is the InChIKey of CID 118719779?
The InChIKey is MRFPZBMYKNLHSO-WADMXHNGSA-N. The full InChI is InChI=1S/C30H46O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-22H,8-17H2,1-7H3/t18-,19-,20-,21+,22+,26-,27+,28+,29+,30-/m1/s1.
What are the key properties of CID 118719779?
CID 118719779 has a molecular weight of 470.69 g/mol, XLogP of 6.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118719779 is sourced from PubChem (CID 118719779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).