(8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol

C30H52O — CID 22296862

IUPAC(8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol
SMILESCC1CC2C3CC(C)(C)CCC3[C@H](C)CC2C2C1C1CC(O)CC(C)(C)C1CC2(C)C
InChIInChI=1S/C30H52O/c1-17-11-22-21(24-15-28(3,4)10-9-20(17)24)12-18(2)26-23-13-19(31)14-29(5,6)25(23)16-30(7,8)27(22)26/h17-27,31H,9-16H2,1-8H3/t17-,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1
InChIKeySGBGQLNGEGJGQW-YGPJGSQHSA-N
MW428.75 g/mol
LogP7.82
Rot. Bonds

About (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol

(8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol (PubChem CID 22296862) has the molecular formula C30H52O and a molecular weight of 428.75 g/mol. Its IUPAC name is (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol.

Molecular Properties

Compound Name(8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol
PubChem CID22296862
Molecular FormulaC30H52O
Molecular Weight428.75 g/mol
Exact Mass428.40
IUPAC Name(8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol
SMILESCC1CC2C3CC(C)(C)CCC3[C@H](C)CC2C2C1C1CC(O)CC(C)(C)C1CC2(C)C
InChIInChI=1S/C30H52O/c1-17-11-22-21(24-15-28(3,4)10-9-20(17)24)12-18(2)26-23-13-19(31)14-29(5,6)25(23)16-30(7,8)27(22)26/h17-27,31H,9-16H2,1-8H3/t17-,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1
InChIKeySGBGQLNGEGJGQW-YGPJGSQHSA-N
XLogP7.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol?
The IUPAC name of (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol (CID 22296862) is (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol.
What is the SMILES notation for (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol?
The canonical SMILES for (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol is CC1CC2C3CC(C)(C)CCC3[C@H](C)CC2C2C1C1CC(O)CC(C)(C)C1CC2(C)C.
What is the InChIKey of (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol?
The InChIKey is SGBGQLNGEGJGQW-YGPJGSQHSA-N. The full InChI is InChI=1S/C30H52O/c1-17-11-22-21(24-15-28(3,4)10-9-20(17)24)12-18(2)26-23-13-19(31)14-29(5,6)25(23)16-30(7,8)27(22)26/h17-27,31H,9-16H2,1-8H3/t17-,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1.
What are the key properties of (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol?
(8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol has a molecular weight of 428.75 g/mol, XLogP of 7.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,14S)-4,4,6,6,8,11,11,14-octamethyl-2,3,4a,5,6a,6a,6b,7,8,8a,9,10,12,12a,13,14,14a,14b-octadecahydro-1H-picen-2-ol is sourced from PubChem (CID 22296862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).