NP-MRD: Showing NP-Card for [(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate (NP0327549)

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Record Information

Version

2.0

Created at

2022-09-12 10:13:35 UTC

Updated at

2022-09-12 10:13:35 UTC

NP-MRD ID

NP0327549

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate

Description

[(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate is found in Taxus sumatrana.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122212132D          

 42 43  0  0  1  0            999 V2000
    3.4449   -2.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8811   -1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7056   -1.4446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927   -0.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9289    0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406    0.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370    0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477    0.7924    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5115    0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8999   -0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7244   -0.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637   -1.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3842    1.3950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5597    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    2.1505    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6532    2.1781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5355    1.6837    0.0000 C   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
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  9 10  1  0  0  0  0
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  8 13  1  0  0  0  0
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  6 38  1  0  0  0  0
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 22 40  1  0  0  0  0
 13 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309122212132D          

 42 43  0  0  1  0            999 V2000
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    1.6077    4.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676    5.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8247    5.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8437    3.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8714    4.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5992    4.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    5.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2995    4.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    3.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0692    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1965    2.8954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9244    3.2837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3833    2.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432    1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    0.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8204    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5614    2.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355    1.6837    0.0000 C   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
  2  4  1  0  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
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  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  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
  6 38  1  0  0  0  0
 38 39  2  0  0  0  0
 22 40  1  0  0  0  0
 13 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0327549

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC\C1=C\[C@@H](OC(C)=O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@H](OC(C)=O)\C(OC(C)=O)=C(C)/[C@@H](O)CC1=O)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H40O12/c1-14-23(36)12-24(37)21(13-38-16(3)31)10-26(40-18(5)33)22-11-25(39-17(4)32)15(2)27(30(22,8)9)29(42-20(7)35)28(14)41-19(6)34/h10,22-23,25-26,29,36H,11-13H2,1-9H3/b21-10-,28-14+/t22-,23+,25-,26-,29+/m1/s1

> <INCHI_KEY>
WDFTZGATORKYEQ-IYQHJFQZSA-N

> <FORMULA>
C30H40O12

> <MOLECULAR_WEIGHT>
592.638

> <EXACT_MASS>
592.251976728

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
59.468072196941506

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1S,2R,3E,7S,8E,10S,13R)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate

> <JCHEM_LOGP>
0.6003830739999989

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.101110592628228

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.29419037684216

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1050577430053483

> <JCHEM_POLAR_SURFACE_AREA>
168.8

> <JCHEM_REFRACTIVITY>
147.8556

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(1S,2R,3E,7S,8E,10S,13R)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       6.430  -3.952   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.245  -2.645   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       8.784  -2.697   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       6.520  -1.286   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       7.334   0.021   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.609   1.379   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.109   1.031   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.636   1.479   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.821   0.172   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.546  -1.187   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.086  -1.238   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.732  -2.494   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.584   2.604   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.045   2.655   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.320   4.014   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.219   4.066   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.034   2.759   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.309   1.400   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -3.573   2.810   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.134   5.321   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.409   6.680   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.673   5.270   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.808   6.629   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.001   7.941   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.733   9.295   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.926  10.607   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.273   9.339   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.308   6.978   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       5.360   8.517   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       6.719   9.242   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.770  10.781   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.026   8.428   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       6.782   6.530   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.596   7.837   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.834   5.405   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.192   6.130   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       8.182   3.905   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.734   2.431   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       9.041   1.617   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       3.398   3.911   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.781   4.588   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.733   3.143   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   38                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    8   14   40                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   15   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   40                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   28   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37    6   39                                                  
CONECT   39   38                                                            
CONECT   40   22   13   41   42                                             
CONECT   41   40                                                            
CONECT   42   40                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₀O₁₂

Average Mass

592.6380 Da

Monoisotopic Mass

592.25198 Da

IUPAC Name

[(1S,2R,3E,7S,8E,10S,13R)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate

Traditional Name

[(1S,2R,3E,7S,8E,10S,13R)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC\C1=C\[C@@H](OC(C)=O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@H](OC(C)=O)\C(OC(C)=O)=C(C)/[C@@H](O)CC1=O)C2(C)C

InChI Identifier

InChI=1S/C30H40O12/c1-14-23(36)12-24(37)21(13-38-16(3)31)10-26(40-18(5)33)22-11-25(39-17(4)32)15(2)27(30(22,8)9)29(42-20(7)35)28(14)41-19(6)34/h10,22-23,25-26,29,36H,11-13H2,1-9H3/b21-10-,28-14+/t22-,23+,25-,26-,29+/m1/s1

InChI Key

WDFTZGATORKYEQ-IYQHJFQZSA-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
Taxus sumatrana	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	0.6	ChemAxon
pKa (Strongest Acidic)	14.29	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	168.8 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	147.86 m³·mol⁻¹	ChemAxon
Polarizability	59.47 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate (NP0327549)

MOL for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

3D MOL for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

3D SDF for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

3D-SDF for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

PDB for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

3D PDB for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

SMILES for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

INCHI for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

Structure for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)

3D Structure for NP0327549 ([(1s,2r,3e,7s,8e,10s,13r)-2,9,10,13-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-5-oxobicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate)