NP-MRD: Showing NP-Card for (3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one (NP0266061)

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Record Information

Version

2.0

Created at

2022-09-08 10:16:25 UTC

Updated at

2022-09-08 10:16:25 UTC

NP-MRD ID

NP0266061

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one

Description

(3S,12R)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4S,8S)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]Tetradeca-1,7,9-trien-5-one belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. (3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one is found in Prunus grayana. Based on a literature review very few articles have been published on (3S,12R)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4S,8S)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]Tetradeca-1,7,9-trien-5-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082212162D          

 41 44  0  0  1  0            999 V2000
    4.1145    4.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

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M  END


  Mrv1652309082212162D          

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    3.8663    5.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6788    5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360    6.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    6.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    5.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7717    4.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895    4.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771    3.8822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9592    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3915    2.6447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3915    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8205    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5350    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2494    2.6447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2494    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9639    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6784    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1073    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8218    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1073    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    4.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933    6.8400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1808    6.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986    5.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0862    5.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441    6.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566    6.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1620    7.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505    7.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754    7.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879    7.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3701    8.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182    7.1265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 29  1  0  0  0  0
  6 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 31 37  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
  5 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0266061

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C1=C2[C@@H](CC(=O)O1)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C37H54O4/c1-24(2)11-8-12-25(3)13-9-14-26(4)15-10-21-37(7)22-20-31-34-32(29-16-18-30(38)19-17-29)23-33(39)40-36(34)28(6)27(5)35(31)41-37/h16-19,24-26,32,38H,8-15,20-23H2,1-7H3/t25-,26-,32-,37+/m0/s1

> <INCHI_KEY>
OIWXAKXWTNBOBE-KOCQOGFLSA-N

> <FORMULA>
C37H54O4

> <MOLECULAR_WEIGHT>
562.835

> <EXACT_MASS>
562.402210219

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
68.48294353409702

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,12R)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4S,8S)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),8-trien-5-one

> <JCHEM_LOGP>
11.328042582666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.496871587628167

> <JCHEM_PKA_STRONGEST_BASIC>
-4.858379116304144

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
169.3738

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,12R)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4S,8S)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),8-trien-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       7.680   8.049   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.690   9.229   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.217  10.676   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.734  10.943   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.227  11.856   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.711  11.588   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.184  10.141   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.174   8.961   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.647   7.514   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.131   7.247   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.657   5.800   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.797   6.477   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.797   4.937   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.131   4.167   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.464   4.937   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.464   6.477   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.798   4.167   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.132   4.937   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.465   4.167   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.799   4.937   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.799   6.477   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.133   4.167   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.466   4.937   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.800   4.167   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      15.134   4.937   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.467   4.167   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.134   6.477   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.141   8.427   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.667   9.874   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.721  12.768   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.204  12.501   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.677  11.053   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.161  10.786   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.829  11.966   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -2.346  11.698   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -0.302  13.413   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.214  13.680   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.247  14.215   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.764  14.482   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       6.291  15.930   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.754  13.303   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   41                                                  
CONECT    6    5    7   30                                                  
CONECT    7    6    8   29                                                  
CONECT    8    7    2    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12   28                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   10   29                                                       
CONECT   29   28    7                                                       
CONECT   30    6   31   38                                                  
CONECT   31   30   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   31                                                       
CONECT   38   30   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39    5                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₅₄O₄

Average Mass

562.8350 Da

Monoisotopic Mass

562.40221 Da

IUPAC Name

(3S,12R)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4S,8S)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),8-trien-5-one

Traditional Name

(3S,12R)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4S,8S)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),8-trien-5-one

CAS Registry Number

Not Available

SMILES

CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C1=C2[C@@H](CC(=O)O1)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C37H54O4/c1-24(2)11-8-12-25(3)13-9-14-26(4)15-10-21-37(7)22-20-31-34-32(29-16-18-30(38)19-17-29)23-33(39)40-36(34)28(6)27(5)35(31)41-37/h16-19,24-26,32,38H,8-15,20-23H2,1-7H3/t25-,26-,32-,37+/m0/s1

InChI Key

OIWXAKXWTNBOBE-KOCQOGFLSA-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
Prunus grayana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Prenylated neoflavonoid
Neoflavan
Neoflavonoid skeleton
Angular pyranocoumarin
Pyranocoumarin
3,4-dihydrocoumarin
Chromane
1-benzopyran
Benzopyran
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Carboxylic acid ester
Lactone
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organoheterocyclic compound
Ether
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	11.33	ChemAxon
pKa (Strongest Acidic)	9.5	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	169.37 m³·mol⁻¹	ChemAxon
Polarizability	68.48 Å³	ChemAxon
Number of Rings	4	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163008432

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one (NP0266061)

MOL for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

3D MOL for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

3D SDF for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

3D-SDF for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

PDB for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

3D PDB for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

SMILES for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

INCHI for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

Structure for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)

3D Structure for NP0266061 ((3s,12r)-3-(4-hydroxyphenyl)-8,9,12-trimethyl-12-[(4s,8s)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-5-one)