(6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol

C27H46O2 — CID 69167455

IUPAC(6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol
SMILESC[C@@H]1CCC(O)C(C)(C)OC23CCCC[C@]2(C)C2CC[C@]4(C)[C@@H]1CC[C@@H]4[C@H]2CC3
InChIInChI=1S/C27H46O2/c1-18-8-11-23(28)24(2,3)29-27-15-7-6-14-26(27,5)22-13-16-25(4)20(18)9-10-21(25)19(22)12-17-27/h18-23,28H,6-17H2,1-5H3/t18-,19-,20-,21-,22?,23?,25-,26-,27?/m1/s1
InChIKeyFGYZXIFRTUVWHX-OMDGSVBYSA-N
MW402.66 g/mol
LogP6.74
Rot. Bonds

About (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol

(6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol (PubChem CID 69167455) has the molecular formula C27H46O2 and a molecular weight of 402.66 g/mol. Its IUPAC name is (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol.

Molecular Properties

Compound Name(6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol
PubChem CID69167455
Molecular FormulaC27H46O2
Molecular Weight402.66 g/mol
Exact Mass402.35
IUPAC Name(6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol
SMILESC[C@@H]1CCC(O)C(C)(C)OC23CCCC[C@]2(C)C2CC[C@]4(C)[C@@H]1CC[C@@H]4[C@H]2CC3
InChIInChI=1S/C27H46O2/c1-18-8-11-23(28)24(2,3)29-27-15-7-6-14-26(27,5)22-13-16-25(4)20(18)9-10-21(25)19(22)12-17-27/h18-23,28H,6-17H2,1-5H3/t18-,19-,20-,21-,22?,23?,25-,26-,27?/m1/s1
InChIKeyFGYZXIFRTUVWHX-OMDGSVBYSA-N
XLogP6.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.66
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol with MolForge

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Related Compounds

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CID 57056342
(8R,9R,10R,13S,14S)-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
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CID 15765637
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CID 22841580
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CID 11868970
5,10,13,17-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
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Frequently Asked Questions

What is the IUPAC name of (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol?
The IUPAC name of (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol (CID 69167455) is (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol.
What is the SMILES notation for (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol?
The canonical SMILES for (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol is C[C@@H]1CCC(O)C(C)(C)OC23CCCC[C@]2(C)C2CC[C@]4(C)[C@@H]1CC[C@@H]4[C@H]2CC3.
What is the InChIKey of (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol?
The InChIKey is FGYZXIFRTUVWHX-OMDGSVBYSA-N. The full InChI is InChI=1S/C27H46O2/c1-18-8-11-23(28)24(2,3)29-27-15-7-6-14-26(27,5)22-13-16-25(4)20(18)9-10-21(25)19(22)12-17-27/h18-23,28H,6-17H2,1-5H3/t18-,19-,20-,21-,22?,23?,25-,26-,27?/m1/s1.
What are the key properties of (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol?
(6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol has a molecular weight of 402.66 g/mol, XLogP of 6.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10R,11R,14R,15R,23R)-6,10,15,19,19-pentamethyl-20-oxapentacyclo[9.9.3.01,6.07,23.010,14]tricosan-18-ol is sourced from PubChem (CID 69167455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).