NP-MRD: Showing NP-Card for (2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate (NP0217029)

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Record Information

Version

2.0

Created at

2022-09-05 17:13:59 UTC

Updated at

2022-09-05 17:13:59 UTC

NP-MRD ID

NP0217029

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate

Description

Ptychantin G belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups. (2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate is found in Ptychanthus striatus. (2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate was first documented in 2005 (PMID: 16116293). Based on a literature review very few articles have been published on Ptychantin G.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052219142D          

 44 45  0  0  1  0            999 V2000
    4.2868   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 41  1  6  0  0  0
 41 42  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309052219142D          

 44 45  0  0  1  0            999 V2000
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    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6178    1.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1481    2.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3356    2.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8053    1.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0534    2.9313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3861   -0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8558    0.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    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
  3  4  1  1  0  0  0
  3  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 24 19  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 24 35  1  0  0  0  0
 11 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
  9 41  1  6  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0217029

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC[C@]12CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1[C@@H](C[C@@](C)(OC(C)=O)[C@@H]2C[C@@H](OC(C)=O)[C@@](C)(OC(C)=O)C=C)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H48O12/c1-12-30(10,43-22(6)37)27(42-21(5)36)15-25-31(11,44-23(7)38)16-24(40-19(3)34)28-29(8,9)26(41-20(4)35)13-14-32(25,28)17-39-18(2)33/h12,24-28H,1,13-17H2,2-11H3/t24-,25+,26-,27-,28+,30+,31-,32+/m1/s1

> <INCHI_KEY>
VQBLQDJNWQNJJG-ATOCGLGPSA-N

> <FORMULA>
C32H48O12

> <MOLECULAR_WEIGHT>
624.724

> <EXACT_MASS>
624.314576986

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
64.5520281184283

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S)-1-[(1R,2R,4R,4aR,6R,8aR)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-decahydronaphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate

> <JCHEM_LOGP>
2.015566017333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.230236381729061

> <JCHEM_POLAR_SURFACE_AREA>
157.8

> <JCHEM_REFRACTIVITY>
154.09250000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S)-1-[(1R,2R,4R,4aR,6R,8aR)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1H-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       8.002  -2.667   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.772  -1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.232   1.334   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.336   0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.003   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.487   2.043   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      11.476   3.757   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.960   4.025   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.970   2.845   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       9.433   5.472   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      13.337   3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.670   2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      16.004   3.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.670   5.390   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      17.338   5.390   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      14.670   0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.521  -0.267   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.531   1.447   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      16.004  -1.540   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      17.338  -2.310   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      17.338  -3.850   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      18.672  -4.620   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      16.004  -4.620   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.337  -1.540   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      13.337   0.000   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    9                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    3   10   41                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   35                                                  
CONECT   12   11   13   14   18                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   12   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25   35                                                  
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   28   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   24   11   36                                             
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41    9   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₈O₁₂

Average Mass

624.7240 Da

Monoisotopic Mass

624.31458 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=O)OC[C@]12CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1[C@@H](C[C@@](C)(OC(C)=O)[C@@H]2C[C@@H](OC(C)=O)[C@@](C)(OC(C)=O)C=C)OC(C)=O

InChI Identifier

InChI=1S/C32H48O12/c1-12-30(10,43-22(6)37)27(42-21(5)36)15-25-31(11,44-23(7)38)16-24(40-19(3)34)28-29(8,9)26(41-20(4)35)13-14-32(25,28)17-39-18(2)33/h12,24-28H,1,13-17H2,2-11H3/t24-,25+,26-,27-,28+,30+,31-,32+/m1/s1

InChI Key

VQBLQDJNWQNJJG-ATOCGLGPSA-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
Ptychanthus striatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Hexacarboxylic acids and derivatives

Direct Parent

Hexacarboxylic acids and derivatives

Alternative Parents

Substituents

Hexacarboxylic acid or derivatives
Diterpenoid
Labdane diterpenoid
Carboxylic acid ester
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic 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

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

10216702

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15213236

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kawahara T, Katoh K, Nabeta K: Highly oxygenated labdane-type diterpenoids, ptychantins from cultured cells of the Ptychantus striatus liverwort. Biosci Biotechnol Biochem. 2005 Aug;69(8):1606-9. doi: 10.1271/bbb.69.1606. [PubMed:16116293 ]
LOTUS database [Link]

Showing NP-Card for (2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate (NP0217029)

MOL for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

3D MOL for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

3D SDF for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

3D-SDF for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

PDB for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

3D PDB for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

SMILES for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

INCHI for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

Structure for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)

3D Structure for NP0217029 ((2r,3s)-1-[(1r,2r,4r,4ar,6r,8ar)-2,4,6-tris(acetyloxy)-8a-[(acetyloxy)methyl]-2,5,5-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-(acetyloxy)-3-methylpent-4-en-2-yl acetate)