NP-MRD: Showing NP-Card for 3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate (NP0148018)

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Record Information

Version

2.0

Created at

2022-09-02 03:42:57 UTC

Updated at

2022-09-02 03:42:58 UTC

NP-MRD ID

NP0148018

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate

Description

3,5,9-Tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,4aH,5H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulen-4-yl butanoate belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. 3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate is found in Euphorbia polycaulis. Based on a literature review very few articles have been published on 3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,4aH,5H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulen-4-yl butanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022205432D          

 44 46  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309022205432D          

 44 46  0  0  0  0            999 V2000
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   -5.5142    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7138    1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1405    0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5934    1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311    2.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3058    3.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429    2.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3677   -0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5299   -0.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2312   -0.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1273   -1.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9058   -0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5858   -2.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7124   -0.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673   -0.2261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8594   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5981   -1.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474   -0.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2365   -0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5197    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6958   -1.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9982   -1.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0111   -2.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560   -2.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -3.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2016   -2.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933   -3.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0248   -2.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3303   -1.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7937   -2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1381   -1.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6739   -2.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5110   -1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3538   -0.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3016   -1.6686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2215   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7036   -2.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7156   -0.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1682   -0.3238    0.0000 C   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  1  0  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  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  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 25 34  1  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
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 38 44  1  0  0  0  0
  4 44  1  0  0  0  0
 12 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0148018

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC(=O)OC1C2C(OC(C)=O)C(C)CC2(O)C(=O)C(C)(OC(C)=O)C2C(C=CC(OC(C)=O)C12COC(C)=O)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C32H44O12/c1-10-11-24(37)43-28-25-26(42-20(7)35)17(4)14-32(25,39)29(38)30(9,44-21(8)36)27-22(16(2)3)12-13-23(41-19(6)34)31(27,28)15-40-18(5)33/h12-13,17,22-23,25-28,39H,2,10-11,14-15H2,1,3-9H3

> <INCHI_KEY>
JZYOERCCXIXEQU-UHFFFAOYSA-N

> <FORMULA>
C32H44O12

> <MOLECULAR_WEIGHT>
620.692

> <EXACT_MASS>
620.283276857

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
63.17023998568892

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,4aH,5H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulen-4-yl butanoate

> <ALOGPS_LOGP>
2.70

> <JCHEM_LOGP>
2.211557949333333

> <ALOGPS_LOGS>
-4.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.58470467297484

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8552501760408058

> <JCHEM_POLAR_SURFACE_AREA>
168.8

> <JCHEM_REFRACTIVITY>
153.25880000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.80e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,8H,8aH-cyclohexa[f]azulen-4-yl butanoate

> <JCHEM_VEBER_RULE>
0

$$$$

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     -13.450   2.156   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.489   0.856   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -14.040  -0.024   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.717   0.503   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.293   1.984   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.799   2.356   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.729   1.249   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -6.708   2.755   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.658   4.119   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.171   5.622   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -4.000   4.341   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -8.153  -0.232   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.589  -0.030   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -6.032  -1.634   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -7.704  -2.277   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -9.157  -1.671   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -6.693  -3.825   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -6.930  -1.167   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -5.166  -0.422   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.471  -0.549   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.983  -2.045   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -1.955  -0.028   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.441  -0.549   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.970   0.176   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.899  -2.707   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.597  -3.529   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -3.754  -3.840   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -2.718  -5.267   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.107  -5.213   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.629  -6.885   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -5.976  -5.022   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.587  -6.644   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.513  -5.122   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -8.083  -3.691   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -8.948  -5.145   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -9.591  -3.379   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0     -10.591  -4.670   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0     -10.287  -2.005   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -11.860  -1.775   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0     -11.763  -3.115   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0     -13.480  -3.172   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -14.380  -4.504   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0     -14.402  -1.799   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -9.647  -0.604   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   44                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    7   13   18   44                                             
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   12   19   25                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   18   26   34                                                  
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   26   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   25   35   36                                             
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40   44                                             
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   38    4   12                                                  
MASTER        0    0    0    0    0    0    0    0   44    0   92    0
END

View in JSmol

Synonyms

Value	Source
3,5,9-Tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1H,2H,3H,3ah,4H,4ah,5H,8H,8ah,9H,10H,10ah-cyclohexa[F]azulen-4-yl butanoic acid	Generator

Chemical Formula

C₃₂H₄₄O₁₂

Average Mass

620.6920 Da

Monoisotopic Mass

620.28328 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCC(=O)OC1C2C(OC(C)=O)C(C)CC2(O)C(=O)C(C)(OC(C)=O)C2C(C=CC(OC(C)=O)C12COC(C)=O)C(C)=C

InChI Identifier

InChI=1S/C32H44O12/c1-10-11-24(37)43-28-25-26(42-20(7)35)17(4)14-32(25,39)29(38)30(9,44-21(8)36)27-22(16(2)3)12-13-23(41-19(6)34)31(27,28)15-40-18(5)33/h12-13,17,22-23,25-28,39H,2,10-11,14-15H2,1,3-9H3

InChI Key

JZYOERCCXIXEQU-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
Euphorbia polycaulis	LOTUS Database	35616633

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Pentacarboxylic acids and derivatives

Direct Parent

Pentacarboxylic acids and derivatives

Alternative Parents

Substituents

Pentacarboxylic acid or derivatives
Alpha-acyloxy ketone
Fatty acid ester
Fatty acyl
Tertiary alcohol
Cyclic alcohol
Ketone
Carboxylic acid ester
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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
logP	2.7	ALOGPS
logS	-4.4	ALOGPS

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

78180642

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate (NP0148018)

MOL for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

3D MOL for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

3D SDF for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

3D-SDF for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

PDB for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

3D PDB for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

SMILES for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

INCHI for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

Structure for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)

3D Structure for NP0148018 (3,5,9-tris(acetyloxy)-4a-[(acetyloxy)methyl]-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,8ah-cyclohexa[f]azulen-4-yl butanoate)