NP-MRD: Showing NP-Card for (8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate (NP0223234)

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Record Information

Version

2.0

Created at

2022-09-06 01:16:08 UTC

Updated at

2022-09-06 01:16:08 UTC

NP-MRD ID

NP0223234

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate

Description

Schisantherin G 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. (8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate is found in Kadsura oblongifolia. Based on a literature review very few articles have been published on Schisantherin G.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062203162D          

 40 43  0  0  1  0            999 V2000
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  8 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  6  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309062203162D          

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    2.0894    6.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2007    6.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5484    7.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9643    7.1848    0.0000 O   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
    3.3539    6.7777    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
    4.4184    6.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9955    6.1039    0.0000 O   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
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  2  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 24 30  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
  8 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0223234

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(OC)C(OC)=C2C(=C1)[C@H](OC(=O)C(\C)=C/C)[C@@](C)(O)[C@@H](C)[C@@H](OC(C)=O)C1=C2C(O)=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H34O11/c1-9-13(2)28(32)40-27-17-11-18(34-6)25(35-7)26(36-8)21(17)20-16(10-19-24(22(20)31)38-12-37-19)23(39-15(4)30)14(3)29(27,5)33/h9-11,14,23,27,31,33H,12H2,1-8H3/b13-9-/t14-,23+,27-,29-/m0/s1

> <INCHI_KEY>
LDZKECBAGCLYOT-YTBDCXFJSA-N

> <FORMULA>
C29H34O11

> <MOLECULAR_WEIGHT>
558.58

> <EXACT_MASS>
558.210111915

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
56.303667171154764

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_LOGP>
3.7240228586666673

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.59336759621737

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.177680606671215

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4165826289047505

> <JCHEM_POLAR_SURFACE_AREA>
139.21

> <JCHEM_REFRACTIVITY>
142.19860000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(8S,9S,10S,11R)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2Z)-2-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      12.692   8.545   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.288   9.965   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.356  11.191   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.951  12.611   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.828  10.996   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       9.896  12.222   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      10.233   9.576   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.705   9.382   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.300   7.896   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.630   7.120   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.623   5.580   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      10.954   4.804   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      12.291   5.569   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.286   4.816   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.280   3.276   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.610   2.500   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.956   5.592   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.619   4.828   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.612   3.288   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.963   7.132   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.477   7.537   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.713   8.874   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.173   8.881   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.397   7.551   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.161   6.213   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.701   6.207   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.015   4.699   0.000  0.00  0.00           O+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       3.900  11.303   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       4.108  12.829   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.890  13.771   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       5.533  13.412   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       6.455  11.124   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.261  12.652   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.941  10.719   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.248  12.228   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       9.325  11.394   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   38                                                  
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17    9   21                                                  
CONECT   21   20   22   26                                                  
CONECT   22   21   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26   28                                                  
CONECT   26   25   21   27                                                  
CONECT   27   26                                                            
CONECT   28   25   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   24                                                       
CONECT   31   22   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36    8   39   40                                             
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₄O₁₁

Average Mass

558.5800 Da

Monoisotopic Mass

558.21011 Da

IUPAC Name

(8S,9S,10S,11R)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2Z)-2-methylbut-2-enoate

Traditional Name

(8S,9S,10S,11R)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2Z)-2-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=C(OC)C(OC)=C2C(=C1)[C@H](OC(=O)C(\C)=C/C)[C@@](C)(O)[C@@H](C)[C@@H](OC(C)=O)C1=C2C(O)=C2OCOC2=C1

InChI Identifier

InChI=1S/C29H34O11/c1-9-13(2)28(32)40-27-17-11-18(34-6)25(35-7)26(36-8)21(17)20-16(10-19-24(22(20)31)38-12-37-19)23(39-15(4)30)14(3)29(27,5)33/h9-11,14,23,27,31,33H,12H2,1-8H3/b13-9-/t14-,23+,27-,29-/m0/s1

InChI Key

LDZKECBAGCLYOT-YTBDCXFJSA-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 oblongifolia	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
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Fatty acid ester
Fatty acyl
Benzenoid
Dicarboxylic acid or derivatives
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Carboxylic acid ester
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Ether
Carbonyl group
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Organooxygen compound
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	3.72	ChemAxon
pKa (Strongest Acidic)	9.18	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	139.21 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	142.2 m³·mol⁻¹	ChemAxon
Polarizability	56.3 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

C00031315

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

145709288

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate (NP0223234)

MOL for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

3D MOL for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

3D SDF for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

3D-SDF for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

PDB for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

3D PDB for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

SMILES for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

INCHI for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

Structure for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)

3D Structure for NP0223234 ((8s,9s,10s,11r)-11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate)