(2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol

C120H236O7 — CID 163057227

IUPAC(2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol
SMILESC[C@@H](CCC[C@@H](C)CCC[C@](C)([C@H]1CC[C@@H](O1)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]2CC[C@@H](O2)[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3CC[C@@H](O3)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O)CCCC(C)C
InChIInChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,121)109-79-81-111(123-109)117(27,87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6)126-119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)113-83-84-114(125-113)120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)127-118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)112-82-80-110(124-112)116(26,122)86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4/h91-114,121-122H,31-90H2,1-30H3/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116+,117+,118+,119-,120-/m1/s1
InChIKeyQIKWYKOHENNMID-SKXOGCIOSA-N
MW1791.10 g/mol
LogP46.00
Rot. Bonds82

About (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol

(2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol (PubChem CID 163057227) has the molecular formula C120H236O7 and a molecular weight of 1791.10 g/mol. Its IUPAC name is (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol.

Molecular Properties

Compound Name(2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol
PubChem CID163057227
Molecular FormulaC120H236O7
Molecular Weight1791.10 g/mol
Exact Mass1790.81
IUPAC Name(2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol
SMILESC[C@@H](CCC[C@@H](C)CCC[C@](C)([C@H]1CC[C@@H](O1)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]2CC[C@@H](O2)[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3CC[C@@H](O3)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O)CCCC(C)C
InChIInChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,121)109-79-81-111(123-109)117(27,87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6)126-119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)113-83-84-114(125-113)120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)127-118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)112-82-80-110(124-112)116(26,122)86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4/h91-114,121-122H,31-90H2,1-30H3/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116+,117+,118+,119-,120-/m1/s1
InChIKeyQIKWYKOHENNMID-SKXOGCIOSA-N
XLogP46.00
TPSA86.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds82
Heavy Atoms127
Complexity2430

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001791.10
LogP ≤ 546.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-5-propyloctyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 44413253
(1R)-5-ethyl-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-5-ethyl-1-hydroxynonyl]oxolan-2-yl]oxolan-2-yl]nonan-1-ol
CID 44413378
(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-5-propyloctyl]oxolan-2-yl]oxolan-2-yl]-5-propyloctan-1-ol
CID 44413254
(1R,2S,5R,6S,8S,10S,11R,13S)-1,5,10-trimethyl-13-propan-2-yl-9,16,17-trioxatetracyclo[11.2.1.12,5.08,10]heptadecane-6,11-diol
CID 122196278
2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-2-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]propan-2-ol
CID 463896
(2S,3R,6S)-6-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol
CID 101057038
(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol
CID 101057039
2-[(2R,5R)-5-[(2S,5R)-5-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
CID 44303227
2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
CID 44303261
2-[(2S,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
CID 44303283
Glabrescol
CID 196965
(2S,3S,6S)-6-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol
CID 101057040

Frequently Asked Questions

What is the IUPAC name of (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol?
The IUPAC name of (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol (CID 163057227) is (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol.
What is the SMILES notation for (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol?
The canonical SMILES for (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol is C[C@@H](CCC[C@@H](C)CCC[C@](C)([C@H]1CC[C@@H](O1)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]2CC[C@@H](O2)[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3CC[C@@H](O3)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O)CCCC(C)C.
What is the InChIKey of (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol?
The InChIKey is QIKWYKOHENNMID-SKXOGCIOSA-N. The full InChI is InChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,121)109-79-81-111(123-109)117(27,87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6)126-119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)113-83-84-114(125-113)120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)127-118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)112-82-80-110(124-112)116(26,122)86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4/h91-114,121-122H,31-90H2,1-30H3/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116+,117+,118+,119-,120-/m1/s1.
What are the key properties of (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol?
(2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol has a molecular weight of 1791.10 g/mol, XLogP of 46.00, 82 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R,10R)-2-[(2R,5R)-5-[(2S,6R,10R)-2-[(2R,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-[(2S,6R,10R)-2-[(2R,5R)-5-[(2R,6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol is sourced from PubChem (CID 163057227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).