NP-MRD: Showing NP-Card for (8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate (NP0303230)

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Record Information

Version

2.0

Created at

2022-09-10 17:25:01 UTC

Updated at

2022-09-10 17:25:01 UTC

NP-MRD ID

NP0303230

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate

Description

CHEMBL538371 belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. (8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate is found in Kadsura polysperma and Schisandra propinqua. Based on a literature review very few articles have been published on CHEMBL538371.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102219252D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309102219252D          

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    2.8020    2.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110    1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1388    2.7180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866    3.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764    3.8769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    5.5499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1381    6.2129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575    7.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3049    7.3436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    7.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431    8.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4580    5.9593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4785    6.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540    5.7423    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7131    6.4758    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
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 30  1  0  0  0  0
 21 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
  7 39  1  0  0  0  0
 39 40  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0303230

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)O[C@@H]1[C@H](C)[C@@H](C)[C@@H](C(=O)C(\C)=C\C)C2=CC(OC)=C(OC)C(OC)=C2C2=C1C=C1OCOC1=C2OC

> <INCHI_IDENTIFIER>
InChI=1S/C31H38O9/c1-10-15(3)26(33)23-16(4)17(5)27(40-22(32)11-2)19-13-21-29(39-14-38-21)31(37-9)25(19)24-18(23)12-20(34-6)28(35-7)30(24)36-8/h10,12-13,16-17,23,27H,11,14H2,1-9H3/b15-10+/t16-,17-,23-,27-/m1/s1

> <INCHI_KEY>
IUKCHGGUYYPBRQ-IWDOIMSMSA-N

> <FORMULA>
C31H38O9

> <MOLECULAR_WEIGHT>
554.636

> <EXACT_MASS>
554.251582804

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
58.86930699823961

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(8R,9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2E)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate

> <JCHEM_LOGP>
5.718964429

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.646003632888398

> <JCHEM_PKA_STRONGEST_BASIC>
-4.072458311241317

> <JCHEM_POLAR_SURFACE_AREA>
98.75000000000003

> <JCHEM_REFRACTIVITY>
149.0795

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(8R,9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2E)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      13.688  12.292   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.770  11.055   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.240  11.231   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.628  12.644   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.287   9.947   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      11.795   9.488   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       8.705   9.382   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.300   7.896   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.630   7.120   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.623   5.580   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      11.129   4.947   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      12.704   5.153   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.286   4.816   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.729   3.220   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.746   1.980   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.956   5.592   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.866   3.974   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.813   2.337   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.963   7.132   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.477   7.537   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.713   8.874   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.173   8.881   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.397   7.551   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.161   6.213   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.701   6.207   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       5.230   4.698   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       4.314   3.209   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.126   5.074   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       0.722   5.706   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.889   7.237   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.118  10.360   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       3.991  11.597   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       3.841  13.077   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.436  13.708   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       5.090  13.978   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.934  15.510   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.455  11.124   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.493  12.726   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.941  10.719   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.798  12.088   0.000  0.00  0.00           C+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   39                                                  
CONECT    8    7    9   19                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16    8   20                                                  
CONECT   20   19   21   25                                                  
CONECT   21   20   22   31                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   30                                                  
CONECT   24   23   25   28                                                  
CONECT   25   24   20   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   24   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   23                                                       
CONECT   31   21   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35                                                            
CONECT   37   31   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37    7   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₈O₉

Average Mass

554.6360 Da

Monoisotopic Mass

554.25158 Da

IUPAC Name

(8R,9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2E)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate

Traditional Name

(8R,9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2E)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate

CAS Registry Number

Not Available

SMILES

CCC(=O)O[C@@H]1[C@H](C)[C@@H](C)[C@@H](C(=O)C(\C)=C\C)C2=CC(OC)=C(OC)C(OC)=C2C2=C1C=C1OCOC1=C2OC

InChI Identifier

InChI=1S/C31H38O9/c1-10-15(3)26(33)23-16(4)17(5)27(40-22(32)11-2)19-13-21-29(39-14-38-21)31(37-9)25(19)24-18(23)12-20(34-6)28(35-7)30(24)36-8/h10,12-13,16-17,23,27H,11,14H2,1-9H3/b15-10+/t16-,17-,23-,27-/m1/s1

InChI Key

IUKCHGGUYYPBRQ-IWDOIMSMSA-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
Kadsura polysperma	LOTUS Database	35616633
Schisandra propinqua	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Hydrolyzable tannins

Direct Parent

Hydrolyzable tannins

Alternative Parents

Substituents

Hydrolyzable tannin
Dibenzocyclooctane lignan
Benzodioxole
Anisole
Alkyl aryl ether
Alpha-branched alpha,beta-unsaturated-ketone
Benzenoid
Acryloyl-group
Enone
Alpha,beta-unsaturated ketone
Ketone
Carboxylic acid ester
Organoheterocyclic compound
Ether
Acetal
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Aldehyde
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	5.72	ChemAxon
pKa (Strongest Acidic)	15.65	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	98.75 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	149.08 m³·mol⁻¹	ChemAxon
Polarizability	58.87 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

24611947

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

45267495

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate (NP0303230)

MOL for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

3D MOL for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

3D SDF for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

3D-SDF for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

PDB for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

3D PDB for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

SMILES for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

INCHI for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

Structure for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)

3D Structure for NP0303230 ((8r,9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(2e)-2-methylbut-2-enoyl]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-11-yl propanoate)