NP-MRD: Showing NP-Card for (2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate (NP0329965)

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Record Information

Version

2.0

Created at

2022-09-12 14:52:09 UTC

Updated at

2022-09-12 14:52:10 UTC

NP-MRD ID

NP0329965

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate

Description

(2R,3S,4S,8S,9S,10R,11R)-3-{[(1S,5R)-6,6-dimethylbicyclo[3.1.1]Hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]Tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Based on a literature review very few articles have been published on (2R,3S,4S,8S,9S,10R,11R)-3-{[(1S,5R)-6,6-dimethylbicyclo[3.1.1]Hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]Tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122216522D          

 37 41  0  0  1  0            999 V2000
    1.9886    7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309122216522D          

 37 41  0  0  1  0            999 V2000
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    0.2123    2.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6127    2.3323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6754    3.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139    3.7612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0258    3.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545    3.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539    2.6584    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  2  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 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
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  6  0  0  0
 34 33  1  6  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0329965

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C(\C)C(=O)O[C@H]1[C@@H]2[C@@H](OC(=O)C2=C)[C@@H](CC2=CC[C@@H]3C[C@H]2C3(C)C)[C@@H](C)C2=CC(=O)[C@](C)(O2)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H38O7/c1-8-14(2)27(33)36-25-23-16(4)28(34)35-24(23)19(11-17-9-10-18-12-20(17)29(18,5)6)15(3)21-13-22(31)30(7,37-21)26(25)32/h8-9,13,15,18-20,23-26,32H,4,10-12H2,1-3,5-7H3/b14-8-/t15-,18-,19+,20-,23+,24+,25+,26-,30+/m1/s1

> <INCHI_KEY>
SGVKVTHSMHIGBU-AODGRDBQSA-N

> <FORMULA>
C30H38O7

> <MOLECULAR_WEIGHT>
510.627

> <EXACT_MASS>
510.261753564

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
54.64659633290148

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,8S,9S,10R,11R)-3-{[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_LOGP>
4.8103350643333345

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.156542999110673

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.813550526849411

> <JCHEM_PKA_STRONGEST_BASIC>
-3.755143733612768

> <JCHEM_POLAR_SURFACE_AREA>
99.13

> <JCHEM_REFRACTIVITY>
139.4959

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,8S,9S,10R,11R)-3-{[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       3.712  14.096   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.087  12.688   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.858  11.355   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.390  11.195   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       2.829  10.210   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.421  10.835   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.581  12.367   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.810  13.700   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.839  14.845   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.362  16.309   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.145  16.628   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.392  17.455   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.898  17.136   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.914  18.919   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.408  19.238   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.598  14.325   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.438  15.857   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -2.104  14.003   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.875  15.336   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.811  11.946   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.522   9.993   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.293  11.326   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.133  12.858   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.541  13.483   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -1.114   9.368   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.274   7.836   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.392   9.690   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.163   8.357   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.394   7.022   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.165   5.689   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.396   4.355   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.144   4.354   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.261   5.699   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.146   7.021   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.915   5.687   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.275   6.408   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.274   4.962   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   27                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9   16                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14                                                            
CONECT   16    8   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20   23                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   25                                                  
CONECT   22   21   23                                                       
CONECT   23   22   18   24                                                  
CONECT   24   23                                                            
CONECT   25   21   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25    6   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33   29   35                                                  
CONECT   35   34   32   36   37                                             
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
(2R,3S,4S,8S,9S,10R,11R)-3-{[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0,]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoic acid	Generator

Chemical Formula

C₃₀H₃₈O₇

Average Mass

510.6270 Da

Monoisotopic Mass

510.26175 Da

IUPAC Name

(2R,3S,4S,8S,9S,10R,11R)-3-{[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0^{4,8}]tetradec-1(13)-en-9-yl (2Z)-2-methylbut-2-enoate

Traditional Name

CAS Registry Number

Not Available

SMILES

C\C=C(\C)C(=O)O[C@H]1[C@@H]2[C@@H](OC(=O)C2=C)[C@@H](CC2=CC[C@@H]3C[C@H]2C3(C)C)[C@@H](C)C2=CC(=O)[C@](C)(O2)[C@@H]1O

InChI Identifier

InChI=1S/C30H38O7/c1-8-14(2)27(33)36-25-23-16(4)28(34)35-24(23)19(11-17-9-10-18-12-20(17)29(18,5)6)15(3)21-13-22(31)30(7,37-21)26(25)32/h8-9,13,15,18-20,23-26,32H,4,10-12H2,1-3,5-7H3/b14-8-/t15-,18-,19+,20-,23+,24+,25+,26-,30+/m1/s1

InChI Key

SGVKVTHSMHIGBU-AODGRDBQSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Pinane monoterpenoid
Monoterpenoid
Fatty acid ester
Dicarboxylic acid or derivatives
3-furanone
Gamma butyrolactone
Fatty acyl
Enoate ester
Tetrahydrofuran
Vinylogous ester
Alpha,beta-unsaturated carboxylic ester
Dihydrofuran
Secondary alcohol
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Carbonyl group
Alcohol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
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	4.81	ChemAxon
pKa (Strongest Acidic)	12.81	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	99.13 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	139.5 m³·mol⁻¹	ChemAxon
Polarizability	54.65 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

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

163093234

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate (NP0329965)

MOL for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

3D MOL for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

3D SDF for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

3D-SDF for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

PDB for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

3D PDB for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

SMILES for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

INCHI for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

Structure for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)

3D Structure for NP0329965 ((2r,3s,4s,8s,9s,10r,11r)-3-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl (2z)-2-methylbut-2-enoate)