NP-MRD: Showing NP-Card for 15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid (NP0248736)

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Record Information

Version

2.0

Created at

2022-09-07 11:05:59 UTC

Updated at

2022-09-07 11:06:00 UTC

NP-MRD ID

NP0248736

Secondary Accession Numbers

None

Natural Product Identification

Common Name

15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

Description

Xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is found, on average, in the highest concentration within peppermints. 15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid is found in Passiflora edulis. This could make XI-4-hydroxy-4-methyl-2-cyclohexen-1-one a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 05061307152D          

 38 42  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv0541 05061307152D          

 38 42  0  0  0  0            999 V2000
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    5.7629    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2358   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6809   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508   -0.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7228   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4458    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2995    0.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6752    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2165   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1471    1.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3919   -0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1116    0.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8631    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637   -1.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9555    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1873   -1.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2217    0.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5192    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040   -1.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600    2.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6184    2.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765   -2.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 17  1  1  0  0  0  0
 17  2  1  0  0  0  0
 18  3  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
 24 18  1  0  0  0  0
 24 19  1  0  0  0  0
 26  4  1  0  0  0  0
 26 11  1  0  0  0  0
 26 24  1  0  0  0  0
 27  5  1  0  0  0  0
 27 14  1  0  0  0  0
 27 20  1  0  0  0  0
 27 26  1  0  0  0  0
 28  6  1  0  0  0  0
 28 21  1  0  0  0  0
 28 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 12  1  0  0  0  0
 29 15  1  0  0  0  0
 29 20  1  0  0  0  0
 30 10  1  0  0  0  0
 30 16  1  0  0  0  0
 30 17  1  0  0  0  0
 31 15  1  0  0  0  0
 31 21  1  0  0  0  0
 31 23  1  0  0  0  0
 31 29  1  0  0  0  0
 32 16  1  0  0  0  0
 33 19  1  0  0  0  0
 34 22  1  0  0  0  0
 35 23  1  0  0  0  0
 36 25  2  0  0  0  0
 37 25  1  0  0  0  0
 38 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0248736

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(O)(CO)CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)

> <INCHI_KEY>
CPHVNLRAJPTYSD-UHFFFAOYSA-N

> <FORMULA>
C31H52O7

> <MOLECULAR_WEIGHT>
536.7404

> <EXACT_MASS>
536.371304018

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
62.023905717709546

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
15-[5,6-dihydroxy-5-(propan-2-yl)hexan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

> <ALOGPS_LOGP>
2.61

> <JCHEM_LOGP>
2.4574664943333344

> <ALOGPS_LOGS>
-4.36

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.616530893881887

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.325611394614259

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5103847620507874

> <JCHEM_POLAR_SURFACE_AREA>
138.45000000000002

> <JCHEM_REFRACTIVITY>
143.7392

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.34e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      17.551   0.196   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.908  -0.169   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.969  -2.907   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.737  -1.700   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.173   2.629   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.146   2.992   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.503   2.854   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.987   3.125   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.075  -1.269   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.020  -2.485   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.072  -1.492   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.556  -1.221   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.008  -0.407   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.757   2.079   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.040  -0.949   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      18.071  -2.064   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      16.335  -0.749   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.549  -1.480   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.032   1.215   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.026   1.405   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.994   1.947   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.485   1.041   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.524  -0.678   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.604  -0.264   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.008   3.664   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.065  -0.314   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.542   1.134   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.478   2.218   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.033   0.228   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.546  -2.275   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.517   0.499   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      19.016  -3.280   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      13.481   1.738   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.969   1.312   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.047  -2.127   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.525   3.928   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       3.021   4.846   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      16.756  -3.800   0.000  0.00  0.00           O+0
CONECT    1   17                                                            
CONECT    2   17                                                            
CONECT    3   18                                                            
CONECT    4   26                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7    8   20                                                       
CONECT    8    7   21                                                       
CONECT    9   10   18                                                       
CONECT   10    9   30                                                       
CONECT   11   12   26                                                       
CONECT   12   11   29                                                       
CONECT   13   22   23                                                       
CONECT   14   19   27                                                       
CONECT   15   29   31                                                       
CONECT   16   30   32                                                       
CONECT   17    1    2   30                                                  
CONECT   18    3    9   24                                                  
CONECT   19   14   24   33                                                  
CONECT   20    7   27   29                                                  
CONECT   21    8   28   31                                                  
CONECT   22   13   28   34                                                  
CONECT   23   13   31   35                                                  
CONECT   24   18   19   26                                                  
CONECT   25   28   36   37                                                  
CONECT   26    4   11   24   27                                             
CONECT   27    5   14   20   26                                             
CONECT   28    6   21   22   25                                             
CONECT   29   12   15   20   31                                             
CONECT   30   10   16   17   38                                             
CONECT   31   15   21   23   29                                             
CONECT   32   16                                                            
CONECT   33   19                                                            
CONECT   34   22                                                            
CONECT   35   23                                                            
CONECT   36   25                                                            
CONECT   37   25                                                            
CONECT   38   30                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Value	Source
Cyclopassifloic acid g	HMDB
15-[5,6-Dihydroxy-5-(propan-2-yl)hexan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate	Generator

Chemical Formula

C₃₁H₅₂O₇

Average Mass

536.7404 Da

Monoisotopic Mass

536.37130 Da

IUPAC Name

15-[5,6-dihydroxy-5-(propan-2-yl)hexan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

Traditional Name

15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(C)C(O)(CO)CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(O)=O

InChI Identifier

InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)

InChI Key

CPHVNLRAJPTYSD-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Passiflora edulis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclohexenones

Alternative Parents

Substituents

Cyclohexenone
Tertiary alcohol
Organic oxide
Hydrocarbon derivative
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.61	ALOGPS
logP	2.46	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	4.33	ChemAxon
pKa (Strongest Basic)	-0.51	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	138.45 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	143.74 m³·mol⁻¹	ChemAxon
Polarizability	62.02 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0033629

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB006151

KNApSAcK ID

Not Available

Chemspider ID

136956

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

155465

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid (NP0248736)

MOL for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

3D MOL for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

3D SDF for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

3D-SDF for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

PDB for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

3D PDB for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

SMILES for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

INCHI for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

Structure for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)

3D Structure for NP0248736 (15-(5,6-dihydroxy-5-isopropylhexan-2-yl)-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid)