NP-MRD: Showing NP-Card for (11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate (NP0264183)

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Record Information

Version

2.0

Created at

2022-09-08 07:37:18 UTC

Updated at

2022-09-08 07:37:19 UTC

NP-MRD ID

NP0264183

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate

Description

Interiotherin A 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. Interiotherin A is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate is found in Kadsura interior. (11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate was first documented in 2001 (PMID: 11402723). Based on a literature review a small amount of articles have been published on interiotherin A (PMID: 22993989) (PMID: 22906629) (PMID: 16238330) (PMID: 15844922).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082209372D          

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M  END

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M  END


  Mrv1652309082209372D          

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 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  6  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  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 20 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
  7 34  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
  4 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0264183

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2OCOC2=CC2=C1C1=C(C=C3OCOC3=C1OC)[C@H](OC(=O)C1=CC=CC=C1)[C@@H](C)[C@@H](C)C2

> <INCHI_IDENTIFIER>
InChI=1S/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1

> <INCHI_KEY>
MBGKPRSARHEFAG-CCHLGUQTSA-N

> <FORMULA>
C29H28O8

> <MOLECULAR_WEIGHT>
504.535

> <EXACT_MASS>
504.178417862

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
52.05729556209506

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0^{2,10}.0^{4,8}.0^{17,21}]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate

> <JCHEM_LOGP>
5.920330492333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.247769934146

> <JCHEM_POLAR_SURFACE_AREA>
81.68

> <JCHEM_REFRACTIVITY>
133.49430000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0^{2,10}.0^{4,8}.0^{17,21}]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       2.889   1.821   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.495   3.445   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.028   5.323   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.515   4.925   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.604   6.014   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.205   7.501   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.718   7.900   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.629   6.811   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.089   6.811   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.000   7.900   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.488   7.501   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.886   6.014   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.797   4.925   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.690   5.323   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.711   4.096   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.305   2.364   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.496   3.553   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.017   3.794   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -3.258   5.315   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.000   9.440   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.430  10.240   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -1.691  11.784   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -0.505  12.766   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -3.135  12.321   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.321  11.339   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.765  11.876   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.021  13.394   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.835  14.376   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.391  13.839   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.089  10.529   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.554  12.084   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.629  10.529   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.339  11.950   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.718   9.440   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       6.976   5.315   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       6.735   3.794   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.214   3.553   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5   37                                                  
CONECT    5    4    6   35                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   34                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11   20                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14   17                                                  
CONECT   14   13    9   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   13   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   12                                                       
CONECT   20   10   21   30                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   24                                                       
CONECT   30   20   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32    7                                                       
CONECT   35    5   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36    4                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   84    0
END

View in JSmol

Synonyms

Value	Source
(-)-Interiotherin a	ChEBI
Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, benzoate(5R,6S,7S,13as)	ChEBI
Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, benzoic acid(5R,6S,7S,13as)	Generator

Chemical Formula

C₂₉H₂₈O₈

Average Mass

504.5350 Da

Monoisotopic Mass

504.17842 Da

IUPAC Name

(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0^{2,10}.0^{4,8}.0^{17,21}]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate

Traditional Name

(11R,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0^{2,10}.0^{4,8}.0^{17,21}]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate

CAS Registry Number

Not Available

SMILES

COC1=C2OCOC2=CC2=C1C1=C(C=C3OCOC3=C1OC)[C@H](OC(=O)C1=CC=CC=C1)[C@@H](C)[C@@H](C)C2

InChI Identifier

InChI=1S/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1

InChI Key

MBGKPRSARHEFAG-CCHLGUQTSA-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 interior	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
Benzoate ester
Benzodioxole
Benzoic acid or derivatives
Anisole
Benzoyl
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Organic oxide
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

aromatic ether (CHEBI:66082 )
organic heteropentacyclic compound (CHEBI:66082 )
benzoate ester (CHEBI:66082 )
oxacycle (CHEBI:66082 )
lignan (CHEBI:66082 )

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	5.92	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	81.68 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	133.49 m³·mol⁻¹	ChemAxon
Polarizability	52.06 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

C00000717

Chemspider ID

19992190

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21125391

PDB ID

Not Available

ChEBI ID

66082

Good Scents ID

Not Available

References

General References

Liu H, Li X, Zhang J, Zhu Y, Qi Y, Peng Y, Zhang B, Xiao P: [Chemical constituents of petroleum ether extract of fruits of Schisandra sphenanthera]. Zhongguo Zhong Yao Za Zhi. 2012 Jun;37(11):1597-601. [PubMed:22993989 ]
Liu H, Zhang J, Li X, Qi Y, Peng Y, Zhang B, Xiao P: Chemical analysis of twelve lignans in the fruit of Schisandra sphenanthera by HPLC-PAD-MS. Phytomedicine. 2012 Oct 15;19(13):1234-41. doi: 10.1016/j.phymed.2012.07.017. Epub 2012 Aug 18. [PubMed:22906629 ]
Coleman RS, Gurrala SR, Mitra S, Raao A: Asymmetric total synthesis of dibenzocyclooctadiene lignan natural products. J Org Chem. 2005 Oct 28;70(22):8932-41. doi: 10.1021/jo051525i. [PubMed:16238330 ]
Coleman RS, Gurrala SR: Asymmetric synthesis of the dibenzocyclooctadiene lignans interiotherin a and gomisin R. Org Lett. 2005 Apr 28;7(9):1849-52. doi: 10.1021/ol050476t. [PubMed:15844922 ]
Chen Y, Qin G, Xie Y: [Lignans from Schisandra propinqua (Wall.) Hook. f. et Thoms]. Zhong Yao Cai. 2001 Feb;24(2):105-7. [PubMed:11402723 ]
LOTUS database [Link]

Showing NP-Card for (11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate (NP0264183)

MOL for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

3D MOL for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

3D SDF for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

3D-SDF for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

PDB for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

3D PDB for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

SMILES for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

INCHI for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

Structure for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)

3D Structure for NP0264183 ((11r,12s,13s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaen-11-yl benzoate)