NP-MRD: Showing NP-Card for (1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate (NP0220752)

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Record Information

Version

2.0

Created at

2022-09-05 22:09:19 UTC

Updated at

2022-09-05 22:09:19 UTC

NP-MRD ID

NP0220752

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate

Description

(1R,4S,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(3R)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate is found in Viburnum chingii. Based on a literature review very few articles have been published on (1R,4S,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(3R)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062200092D          

 33 33  0  0  1  0            999 V2000
    4.7515    3.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4901    2.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    2.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    3.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467    1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734    2.5727    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3264    3.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037    1.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    0.8427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1505    1.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2919    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514    0.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477   -0.1383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2613   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    1.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001    0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8884   -0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7020   -0.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3632   -1.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6078   -1.0268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3777   -0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434   -1.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015   -1.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -1.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387    0.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447   -0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616   -0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1493   -0.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696    1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  2  3  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  4  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 32 33  1  4  0  0  0
 10 33  1  0  0  0  0
M  END


  Mrv1652309062200092D          

 33 33  0  0  1  0            999 V2000
    4.7515    3.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4901    2.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    2.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    3.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467    1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734    2.5727    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3264    3.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037    1.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    0.8427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1505    1.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2919    1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514    0.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477   -0.1383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2613   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    1.1341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001    0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8884   -0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7020   -0.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3632   -1.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6078   -1.0268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3777   -0.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434   -1.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015   -1.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -1.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387    0.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447   -0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616   -0.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1493   -0.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696    1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  2  3  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  4  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 32 33  1  4  0  0  0
 10 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220752

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(C)(C)[C@H](C)CC[C@@]1(C)CC=C(CO)C(=O)C=C[C@@](C)(O)[C@H](OC(=O)C=C(C)C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H42O6/c1-19(2)17-24(30)33-23-12-15-26(6,13-9-20(3)25(4,5)32-8)14-10-21(18-28)22(29)11-16-27(23,7)31/h10-12,15-17,20,23,28,31H,9,13-14,18H2,1-8H3/t20-,23-,26+,27-/m1/s1

> <INCHI_KEY>
ZPAVYDHHQKCJNL-UVTQQAOWSA-N

> <FORMULA>
C27H42O6

> <MOLECULAR_WEIGHT>
462.627

> <EXACT_MASS>
462.298139072

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
51.98041065481789

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,4S,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(3R)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate

> <JCHEM_LOGP>
4.840404333999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.983407308052314

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.526891124032893

> <JCHEM_PKA_STRONGEST_BASIC>
-2.813234510992425

> <JCHEM_POLAR_SURFACE_AREA>
93.06000000000002

> <JCHEM_REFRACTIVITY>
134.83849999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4S,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(3R)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       8.869   6.879   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       8.382   5.418   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.873   5.110   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.565   6.619   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.181   3.601   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.364   4.802   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.343   5.955   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.876   3.342   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.367   3.034   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.879   1.573   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.148   2.928   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.278   2.217   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.323   1.085   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.569  -0.258   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.088  -0.513   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.068   0.674   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       6.530   2.117   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.587   0.419   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.125  -1.024   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.644  -1.279   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.145  -2.212   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.868  -1.917   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.305  -1.364   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.681  -3.224   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.736  -2.961   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.266  -2.503   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.927  -1.001   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.059   0.044   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       0.457  -0.543   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.675  -1.587   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -2.145  -1.129   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.118   0.959   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.250   2.004   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   33                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   14   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   33                                                       
CONECT   33   32   10                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   66    0
END

View in JSmol

Synonyms

Value	Source
(1R,4S,11R)-11-Hydroxy-7-(hydroxymethyl)-4-[(3R)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoic acid	Generator

Chemical Formula

C₂₇H₄₂O₆

Average Mass

462.6270 Da

Monoisotopic Mass

462.29814 Da

IUPAC Name

(1R,4S,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(3R)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate

Traditional Name

(1R,4S,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(3R)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

COC(C)(C)[C@H](C)CC[C@@]1(C)CC=C(CO)C(=O)C=C[C@@](C)(O)[C@H](OC(=O)C=C(C)C)C=C1

InChI Identifier

InChI=1S/C27H42O6/c1-19(2)17-24(30)33-23-12-15-26(6,13-9-20(3)25(4,5)32-8)14-10-21(18-28)22(29)11-16-27(23,7)31/h10-12,15-17,20,23,28,31H,9,13-14,18H2,1-8H3/t20-,23-,26+,27-/m1/s1

InChI Key

ZPAVYDHHQKCJNL-UVTQQAOWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Viburnum chingii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Fatty acid ester
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Cyclic ketone
Ketone
Carboxylic acid ester
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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	4.84	ChemAxon
pKa (Strongest Acidic)	13.53	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	134.84 m³·mol⁻¹	ChemAxon
Polarizability	51.98 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

162869420

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate (NP0220752)

MOL for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

3D MOL for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

3D SDF for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

3D-SDF for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

PDB for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

3D PDB for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

SMILES for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

INCHI for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

Structure for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)

3D Structure for NP0220752 ((1r,4s,11r)-11-hydroxy-7-(hydroxymethyl)-4-[(3r)-4-methoxy-3,4-dimethylpentyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl 3-methylbut-2-enoate)