(4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol

C19H32O2 — CID 163765408

IUPAC(4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol
SMILESCC1C[C@H]2OC(O)CC[C@]2(C)C2CC[C@]3(C)CCCC3C12
InChIInChI=1S/C19H32O2/c1-12-11-15-19(3,10-7-16(20)21-15)14-6-9-18(2)8-4-5-13(18)17(12)14/h12-17,20H,4-11H2,1-3H3/t12?,13?,14?,15-,16?,17?,18+,19-/m1/s1
InChIKeyMBVLYLBQELPNRR-JZAJCLCZSA-N
MW292.46 g/mol
LogP4.36
Rot. Bonds

About (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol

(4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol (PubChem CID 163765408) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol.

Molecular Properties

Compound Name(4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol
PubChem CID163765408
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol
SMILESCC1C[C@H]2OC(O)CC[C@]2(C)C2CC[C@]3(C)CCCC3C12
InChIInChI=1S/C19H32O2/c1-12-11-15-19(3,10-7-16(20)21-15)14-6-9-18(2)8-4-5-13(18)17(12)14/h12-17,20H,4-11H2,1-3H3/t12?,13?,14?,15-,16?,17?,18+,19-/m1/s1
InChIKeyMBVLYLBQELPNRR-JZAJCLCZSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol?
The IUPAC name of (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol (CID 163765408) is (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol.
What is the SMILES notation for (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol?
The canonical SMILES for (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol is CC1C[C@H]2OC(O)CC[C@]2(C)C2CC[C@]3(C)CCCC3C12.
What is the InChIKey of (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol?
The InChIKey is MBVLYLBQELPNRR-JZAJCLCZSA-N. The full InChI is InChI=1S/C19H32O2/c1-12-11-15-19(3,10-7-16(20)21-15)14-6-9-18(2)8-4-5-13(18)17(12)14/h12-17,20H,4-11H2,1-3H3/t12?,13?,14?,15-,16?,17?,18+,19-/m1/s1.
What are the key properties of (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol?
(4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol has a molecular weight of 292.46 g/mol, XLogP of 4.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5aR,9aR,11aS)-4,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol is sourced from PubChem (CID 163765408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).