10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid

C30H50O5 — CID 162944423

IUPAC10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid
SMILESCC1CCC2(C(=O)O)CCC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CC(O)C3(O)C2C1C
InChIInChI=1S/C30H50O5/c1-17-8-13-29(24(33)34)15-14-28(7)27(6)12-9-19-25(3,4)21(31)10-11-26(19,5)20(27)16-22(32)30(28,35)23(29)18(17)2/h17-23,31-32,35H,8-16H2,1-7H3,(H,33,34)
InChIKeyJFEDUPNXIYCJAV-UHFFFAOYSA-N
MW490.73 g/mol
LogP5.26
Rot. Bonds1

About 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid

10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid (PubChem CID 162944423) has the molecular formula C30H50O5 and a molecular weight of 490.73 g/mol. Its IUPAC name is 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid.

Molecular Properties

Compound Name10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid
PubChem CID162944423
Molecular FormulaC30H50O5
Molecular Weight490.73 g/mol
Exact Mass490.37
IUPAC Name10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid
SMILESCC1CCC2(C(=O)O)CCC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CC(O)C3(O)C2C1C
InChIInChI=1S/C30H50O5/c1-17-8-13-29(24(33)34)15-14-28(7)27(6)12-9-19-25(3,4)21(31)10-11-26(19,5)20(27)16-22(32)30(28,35)23(29)18(17)2/h17-23,31-32,35H,8-16H2,1-7H3,(H,33,34)
InChIKeyJFEDUPNXIYCJAV-UHFFFAOYSA-N
XLogP5.26
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 55.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
CID 149431175
(1R,2R,4aR,6aS,6aS,6bS,8aR,10R,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CID 6604209
(1R,2R,4aR,6aR,6aS,6bR,8aR,10R,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CID 162948470
(4aR,6aS,6aS,6bS,8aR,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CID 162948466
(1S,2R,4aS,6aR,6aS,6bR,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CID 145154304
(6bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-3,6a,13-triol;ethane
CID 143880885
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,13R,14bS)-13-hydroperoxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CID 122206677
10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CID 162861821
10-hydroxy-6a-(hydroxymethyl)-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CID 75051803
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CID 162928990
(1R,2R,4aS,6aS,6aS,6bR,8aS,10S,12aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
CID 93326870
(1R,2S,4aS,6aR,6aS,6bS,8aS,10S,12aS,14bR)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
CID 162954304

Frequently Asked Questions

What is the IUPAC name of 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid?
The IUPAC name of 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid (CID 162944423) is 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid.
What is the SMILES notation for 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid?
The canonical SMILES for 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid is CC1CCC2(C(=O)O)CCC3(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CC(O)C3(O)C2C1C.
What is the InChIKey of 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid?
The InChIKey is JFEDUPNXIYCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O5/c1-17-8-13-29(24(33)34)15-14-28(7)27(6)12-9-19-25(3,4)21(31)10-11-26(19,5)20(27)16-22(32)30(28,35)23(29)18(17)2/h17-23,31-32,35H,8-16H2,1-7H3,(H,33,34).
What are the key properties of 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid?
10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid has a molecular weight of 490.73 g/mol, XLogP of 5.26, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid is sourced from PubChem (CID 162944423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).