NP-MRD: Showing NP-Card for (1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate (NP0277322)

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Record Information

Version

2.0

Created at

2022-09-09 01:54:47 UTC

Updated at

2022-09-09 01:54:47 UTC

NP-MRD ID

NP0277322

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate

Description

4-Hydroxymethacrylic acid (6R,7S,10R,11E)-2-oxo-3-(methoxymethyl)-6,10-dimethyl-6,7-dihydroxy-7,10-epoxy-2,4,5,6,7,8,9,10-octahydrocyclodeca[b]furan-4beta-yl ester belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. (1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate is found in Eremosis triflosculosa. Based on a literature review very few articles have been published on 4-Hydroxymethacrylic acid (6R,7S,10R,11E)-2-oxo-3-(methoxymethyl)-6,10-dimethyl-6,7-dihydroxy-7,10-epoxy-2,4,5,6,7,8,9,10-octahydrocyclodeca[b]furan-4beta-yl ester.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309092203542D          

 29 31  0  0  1  0            999 V2000
   -0.3431   -2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3431   -1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0575   -1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720   -1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -0.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -2.4389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3013   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837   -3.3613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9683   -3.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6686   -2.6939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837   -4.1863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9683   -4.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3013   -4.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -5.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705   -4.8538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3554   -5.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554   -4.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554   -3.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -3.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -2.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8075   -1.7965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554   -2.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0386   -0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269   -4.2633    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  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  6  0  0  0
 10 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  2  0  0  0  0
 20 28  1  0  0  0  0
  8 28  1  0  0  0  0
 17 29  1  0  0  0  0
 13 29  1  0  0  0  0
M  END


  Mrv1652309092203542D          

 29 31  0  0  1  0            999 V2000
   -0.3431   -2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3431   -1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0575   -1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720   -1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -0.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -1.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -2.4389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3013   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837   -3.3613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9683   -3.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6686   -2.6939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837   -4.1863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9683   -4.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3013   -4.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -5.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705   -4.8538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3554   -5.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554   -4.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554   -3.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -3.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -2.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8075   -1.7965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554   -2.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005   -1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0386   -0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269   -4.2633    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  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  6  0  0  0
 10 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  2  0  0  0  0
 20 28  1  0  0  0  0
  8 28  1  0  0  0  0
 17 29  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0277322

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COCC1=C2[C@H](C[C@@](C)(O)[C@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O)OC(=O)C(=C)CO

> <INCHI_IDENTIFIER>
InChI=1S/C20H26O9/c1-11(9-21)16(22)27-14-8-19(3,24)20(25)6-5-18(2,29-20)7-13-15(14)12(10-26-4)17(23)28-13/h7,14,21,24-25H,1,5-6,8-10H2,2-4H3/b13-7+/t14-,18+,19+,20-/m0/s1

> <INCHI_KEY>
QWBLTCODGSIAOX-TUKLKSIPSA-N

> <FORMULA>
C20H26O9

> <MOLECULAR_WEIGHT>
410.419

> <EXACT_MASS>
410.157682417

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
40.66298317499672

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate

> <JCHEM_LOGP>
-0.2421948536666657

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.816619217802693

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.972707891243754

> <JCHEM_PKA_STRONGEST_BASIC>
-2.844237063165778

> <JCHEM_POLAR_SURFACE_AREA>
131.75000000000003

> <JCHEM_REFRACTIVITY>
101.34479999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.640  -4.553   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.640  -3.013   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.974  -2.243   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -3.308  -3.013   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.693  -2.243   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.693  -0.703   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       2.027  -3.013   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.027  -4.553   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.562  -5.029   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.343  -6.274   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.807  -6.750   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.248  -5.029   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.343  -7.814   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.807  -8.290   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.562  -9.060   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.027  -9.536   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.492  -9.060   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.397 -10.306   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.397  -7.814   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.397  -6.274   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.861  -5.799   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.861  -4.259   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.107  -3.353   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.397  -3.783   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.921  -2.318   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.415  -1.998   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.939  -0.533   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.492  -5.029   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.730  -7.958   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3                                                            
CONECT    5    2    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   28                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10   14   15   29                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   29                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   28                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   24   20    8                                                  
CONECT   29   17   13                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END

View in JSmol

Synonyms

Value	Source
4-Hydroxymethacrylate (6R,7S,10R,11E)-2-oxo-3-(methoxymethyl)-6,10-dimethyl-6,7-dihydroxy-7,10-epoxy-2,4,5,6,7,8,9,10-octahydrocyclodeca[b]furan-4b-yl ester	Generator
4-Hydroxymethacrylate (6R,7S,10R,11E)-2-oxo-3-(methoxymethyl)-6,10-dimethyl-6,7-dihydroxy-7,10-epoxy-2,4,5,6,7,8,9,10-octahydrocyclodeca[b]furan-4beta-yl ester	Generator
4-Hydroxymethacrylate (6R,7S,10R,11E)-2-oxo-3-(methoxymethyl)-6,10-dimethyl-6,7-dihydroxy-7,10-epoxy-2,4,5,6,7,8,9,10-octahydrocyclodeca[b]furan-4β-yl ester	Generator
4-Hydroxymethacrylic acid (6R,7S,10R,11E)-2-oxo-3-(methoxymethyl)-6,10-dimethyl-6,7-dihydroxy-7,10-epoxy-2,4,5,6,7,8,9,10-octahydrocyclodeca[b]furan-4b-yl ester	Generator
4-Hydroxymethacrylic acid (6R,7S,10R,11E)-2-oxo-3-(methoxymethyl)-6,10-dimethyl-6,7-dihydroxy-7,10-epoxy-2,4,5,6,7,8,9,10-octahydrocyclodeca[b]furan-4β-yl ester	Generator

Chemical Formula

C₂₀H₂₆O₉

Average Mass

410.4190 Da

Monoisotopic Mass

410.15768 Da

IUPAC Name

(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate

Traditional Name

(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

COCC1=C2[C@H](C[C@@](C)(O)[C@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O)OC(=O)C(=C)CO

InChI Identifier

InChI=1S/C20H26O9/c1-11(9-21)16(22)27-14-8-19(3,24)20(25)6-5-18(2,29-20)7-13-15(14)12(10-26-4)17(23)28-13/h7,14,21,24-25H,1,5-6,8-10H2,2-4H3/b13-7+/t14-,18+,19+,20-/m0/s1

InChI Key

QWBLTCODGSIAOX-TUKLKSIPSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Eremosis triflosculosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Sub Class

Beta hydroxy acids and derivatives

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents

Substituents

Beta-hydroxy acid
2-furanone
Dicarboxylic acid or derivatives
Dihydrofuran
Enol ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Hemiacetal
Lactone
Ether
Organoheterocyclic compound
Oxacycle
Dialkyl ether
Carboxylic acid derivative
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxide
Organic oxygen compound
Organooxygen compound
Primary alcohol
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	-0.24	ChemAxon
pKa (Strongest Acidic)	10.97	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	131.75 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	101.34 m³·mol⁻¹	ChemAxon
Polarizability	40.66 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

15689665

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate (NP0277322)

MOL for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

3D MOL for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

3D SDF for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

3D-SDF for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

PDB for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

3D PDB for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

SMILES for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

INCHI for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

Structure for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)

3D Structure for NP0277322 ((1r,2e,8s,10r,11s)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-(hydroxymethyl)prop-2-enoate)