NP-MRD: Showing NP-Card for (1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione (NP0153069)

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Record Information

Version

2.0

Created at

2022-09-02 09:40:13 UTC

Updated at

2022-09-02 09:40:13 UTC

NP-MRD ID

NP0153069

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione

Description

Garcimultiflorone C belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione is found in Garcinia multiflora. (1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione was first documented in 2009 (PMID: 19203247). Based on a literature review very few articles have been published on garcimultiflorone C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022211402D          

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M  END

     RDKit          2D

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  3 49  1  0
  3 50  1  0
  1 46  1  0
  1 47  1  0
M  END


  Mrv1652309022211402D          

 45 48  0  0  1  0            999 V2000
   -0.5815   -2.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937   -2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257   -2.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3370   -1.2955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2950   -0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0702   -1.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -1.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0139   -2.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888   -2.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1122   -1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2555   -0.2009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9586    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2555    2.1746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0680    2.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    1.3993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3735    1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488    1.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    2.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    0.5743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3735    0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0055    0.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920   -0.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353   -1.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033   -2.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0280   -1.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8848   -1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4801    1.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6234    1.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2589    0.9868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5661    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9786    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661   -0.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036   -0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6286    0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    0.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -0.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4805   -0.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 31 39  1  0  0  0  0
 11 39  1  0  0  0  0
 39 40  2  0  0  0  0
 31 41  1  0  0  0  0
 13 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 20 44  1  0  0  0  0
 11 44  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0153069

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CC[C@@H](C[C@]12C[C@H]3C[C@@H](C(C)(C)O)[C@@](C(=O)C4=CC=CC=C4)(C1=O)C(=O)[C@](CC(O)C(C)(C)O)(C2=O)C3(C)C)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C38H52O7/c1-22(2)16-17-25(23(3)4)19-36-20-26-18-27(34(7,8)44)38(31(36)42,29(40)24-14-12-11-13-15-24)32(43)37(30(36)41,33(26,5)6)21-28(39)35(9,10)45/h11-16,25-28,39,44-45H,3,17-21H2,1-2,4-10H3/t25-,26+,27-,28?,36+,37-,38+/m0/s1

> <INCHI_KEY>
OJQJSWYYBRLADU-RITXUHLESA-N

> <FORMULA>
C38H52O7

> <MOLECULAR_WEIGHT>
620.827

> <EXACT_MASS>
620.371304014

> <ALOGPS_LOGP>
4.09

> <ALOGPS_LOGS>
-5.61

> <ALOGPS_SOLUBILITY>
1.52e-03 g/l

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.085  -4.462   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.362  -3.935   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.541  -4.925   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.629  -2.418   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.551  -1.428   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.998  -1.955   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.265  -3.472   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.893  -4.966   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.712  -3.998   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.076  -1.892   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.344  -0.375   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.789   1.842   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.344   4.059   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.860   3.792   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.850   2.612   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.297   3.139   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.744   3.666   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.824   1.692   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.771   4.586   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.850   1.072   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.297   0.545   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.477   1.535   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.565  -0.971   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.012  -1.498   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.279  -3.015   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.099  -4.004   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.652  -3.478   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.385  -1.961   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.763   2.003   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       3.030   3.520   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.483   1.842   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.057   1.842   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.827   0.508   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.057  -0.825   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -3.367   0.508   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.367   2.048   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.367  -1.032   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -4.907   0.508   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       1.010   0.395   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -0.170  -0.595   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       1.010   3.289   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.482   3.670   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       0.375   4.692   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       3.860  -0.108   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       4.630  -1.441   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    4   11                                                       
CONECT   11   10   12   39   44                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   41                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16                                                            
CONECT   20   15   21   29   44                                             
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   23                                                       
CONECT   29   20   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   39   41                                             
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37   38                                             
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   35                                                            
CONECT   39   31   11   40                                                  
CONECT   40   39                                                            
CONECT   41   31   13   42   43                                             
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   20   11   45                                                  
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₂O₇

Average Mass

620.8270 Da

Monoisotopic Mass

620.37130 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)=CC[C@@H](C[C@]12C[C@H]3C[C@@H](C(C)(C)O)[C@@](C(=O)C4=CC=CC=C4)(C1=O)C(=O)[C@](CC(O)C(C)(C)O)(C2=O)C3(C)C)C(C)=C

InChI Identifier

InChI=1S/C38H52O7/c1-22(2)16-17-25(23(3)4)19-36-20-26-18-27(34(7,8)44)38(31(36)42,29(40)24-14-12-11-13-15-24)32(43)37(30(36)41,33(26,5)6)21-28(39)35(9,10)45/h11-16,25-28,39,44-45H,3,17-21H2,1-2,4-10H3/t25-,26+,27-,28?,36+,37-,38+/m0/s1

InChI Key

OJQJSWYYBRLADU-RITXUHLESA-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
Garcinia multiflora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Alkyl-phenylketone
Phenylketone
Benzoyl
Aryl alkyl ketone
Aryl ketone
Monocyclic benzene moiety
Benzenoid
Tertiary alcohol
Ketone
Secondary alcohol
Alcohol
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	4.09	ALOGPS
logS	-5.6	ALOGPS

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00047240

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

102285549

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Chen JJ, Ting CW, Hwang TL, Chen IS: Benzophenone derivatives from the fruits of Garcinia multiflora and their anti-inflammatory activity. J Nat Prod. 2009 Feb 27;72(2):253-8. doi: 10.1021/np8006364. [PubMed:19203247 ]
LOTUS database [Link]

Showing NP-Card for (1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione (NP0153069)

MOL for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

3D MOL for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

3D SDF for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

3D-SDF for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

PDB for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

3D PDB for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

SMILES for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

INCHI for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

Structure for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)

3D Structure for NP0153069 ((1r,3r,4r,6r,8s)-3-benzoyl-8-(2,3-dihydroxy-3-methylbutyl)-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]tricyclo[4.3.1.1³,⁸]undecane-2,9,11-trione)