NP-MRD: Showing NP-Card for 12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate (NP0220416)

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Record Information

Version

2.0

Created at

2022-09-05 21:43:16 UTC

Updated at

2022-09-05 21:43:16 UTC

NP-MRD ID

NP0220416

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate

Description

12-[(Acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]Tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. 12-[(Acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]Tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004161503302D          

 31 33  0  0  0  0            999 V2000
    3.6334    4.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8401    3.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2518    3.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4567    3.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4585    2.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8702    1.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535    2.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602    1.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    1.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8436    1.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386    1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8454    0.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    0.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570    0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4620    0.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294   -0.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3831   -0.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737   -0.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786    0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829   -0.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462    0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9476    0.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485    1.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8719    0.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808    1.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374    2.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5132    2.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182    3.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369    2.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    3.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  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
 10 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 15  1  4  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
  8 24  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 10 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END


  Mrv1533004161503302D          

 31 33  0  0  0  0            999 V2000
    3.6334    4.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8401    3.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2518    3.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4567    3.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4585    2.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8702    1.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535    2.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602    1.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    1.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8436    1.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386    1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8454    0.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    0.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570    0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4620    0.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294   -0.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3831   -0.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737   -0.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786    0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829   -0.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462    0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9476    0.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485    1.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8719    0.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7808    1.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374    2.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5132    2.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182    3.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369    2.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    3.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  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
 10 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 15  1  4  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
  8 24  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 10 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220416

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=C(C)C(=O)OC1CC(CO)=CC2OC2C(C)(O)C=C2OC(=O)C(COC(C)=O)=C12

> <INCHI_IDENTIFIER>
InChI=1S/C22H26O9/c1-5-11(2)20(25)30-15-6-13(9-23)7-16-19(29-16)22(4,27)8-17-18(15)14(21(26)31-17)10-28-12(3)24/h5,7-8,15-16,19,23,27H,6,9-10H2,1-4H3

> <INCHI_KEY>
JAALJJILKBJVBC-UHFFFAOYSA-N

> <FORMULA>
C22H26O9

> <MOLECULAR_WEIGHT>
434.441

> <EXACT_MASS>
434.157682417

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
43.182574713052794

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate

> <ALOGPS_LOGP>
0.77

> <JCHEM_LOGP>
0.5022038879999999

> <ALOGPS_LOGS>
-3.52

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.150832491762579

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.441350130280217

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7366725792869655

> <JCHEM_POLAR_SURFACE_AREA>
131.89000000000001

> <JCHEM_REFRACTIVITY>
110.18289999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       6.782   8.824   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.168   7.333   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.070   6.254   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.586   6.665   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.456   4.763   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.358   3.683   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       7.940   4.351   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.326   2.861   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.810   2.449   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.908   3.529   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.392   3.118   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.778   1.627   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      13.164   0.136   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      11.680   0.547   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.196   0.958   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.068  -0.311   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.048  -0.574   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       9.098  -0.121   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.613   0.290   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.315  -0.538   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.126   0.442   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       3.635   0.056   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.690   1.875   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.228   1.781   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.863   3.173   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.324   3.106   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       2.497   4.405   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.958   4.337   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.207   5.771   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.522   5.020   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      11.620   6.099   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   24                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   30                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12   14                                                       
CONECT   14   13   12   15                                                  
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23    8   19                                                  
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   10   31                                                       
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

View in JSmol

Synonyms

Value	Source
12-[(Acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0,]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoic acid	Generator
12-[(Acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoic acid	Generator

Chemical Formula

C₂₂H₂₆O₉

Average Mass

434.4410 Da

Monoisotopic Mass

434.15768 Da

IUPAC Name

12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate

Traditional Name

12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

CC=C(C)C(=O)OC1CC(CO)=CC2OC2C(C)(O)C=C2OC(=O)C(COC(C)=O)=C12

InChI Identifier

InChI=1S/C22H26O9/c1-5-11(2)20(25)30-15-6-13(9-23)7-16-19(29-16)22(4,27)8-17-18(15)14(21(26)31-17)10-28-12(3)24/h5,7-8,15-16,19,23,27H,6,9-10H2,1-4H3

InChI Key

JAALJJILKBJVBC-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Fatty acid ester
2-furanone
Fatty acyl
Dihydrofuran
Enol ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Carboxylic acid ester
Lactone
Dialkyl ether
Oxacycle
Oxirane
Ether
Organoheterocyclic compound
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Carbonyl group
Organic oxide
Primary alcohol
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	0.77	ALOGPS
logP	0.5	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	13.44	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	131.89 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	110.18 m³·mol⁻¹	ChemAxon
Polarizability	43.18 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate (NP0220416)

MOL for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

3D MOL for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

3D SDF for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

3D-SDF for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

PDB for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

3D PDB for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

SMILES for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

INCHI for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

Structure for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)

3D Structure for NP0220416 (12-[(acetyloxy)methyl]-3-hydroxy-8-(hydroxymethyl)-3-methyl-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-1,7,11-trien-10-yl 2-methylbut-2-enoate)