NP-MRD: Showing NP-Card for (1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione (NP0272411)

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Record Information

Version

2.0

Created at

2022-09-08 19:01:54 UTC

Updated at

2022-09-08 19:01:54 UTC

NP-MRD ID

NP0272411

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione

Description

Rosenonolactone belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. (1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione is found in Duranta erecta and Holarrhena floribunda. (1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione was first documented in 2008 (PMID: 18923338). Based on a literature review a small amount of articles have been published on Rosenonolactone (PMID: 26136058) (PMID: 25850378).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          2D

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.3032    8.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119    6.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    5.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257    6.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    4.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328    3.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7062    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8209    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    3.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967    5.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351    3.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9499    4.2246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470    1.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0257    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2114    0.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249    1.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -2.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4852    8.9476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9124    8.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608    6.1505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0785    8.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404    7.9434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    6.4021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354    4.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3886    5.7772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8601    1.8324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    3.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0496    0.8167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1574    2.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4582    0.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6373    4.5448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850    6.6005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5782    5.3864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5378    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0910    0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3180   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593   -2.5134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5186   -2.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1275   -0.4182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617   -3.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -2.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9474   -1.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8139   -2.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7049    1.3548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9886   -0.2543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  2  0
 20 14  1  0
 14 13  1  0
 13 11  1  0
 11 12  2  0
 11  9  1  0
  9 10  1  0
 10  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  3  2  1  6
  2  1  2  3
 22 15  1  0
  7  9  1  0
 14 15  1  0
  7 20  1  0
 16 43  1  0
 16 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  0
 18 49  1  0
 19 50  1  0
 19 51  1  0
 14 42  1  1
 13 40  1  0
 13 41  1  0
  9 37  1  1
 10 38  1  0
 10 39  1  0
  4 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
  8 36  1  0
  2 26  1  0
  1 24  1  0
  1 25  1  0
M  END


  Mrv1652309082221012D          

 23 26  0  0  1  0            999 V2000
    5.7741    0.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0341   -0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3482    0.3276    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9188    0.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0158   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956   -0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080    0.1484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3755   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0404    0.9034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8605    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5527    1.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8852    2.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7326    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.7242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5392    1.1383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0379    1.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1663    0.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5092   -0.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3097   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8879    0.0587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9816    0.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471    1.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5468    2.1061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  3 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 20  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0272411

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@]12CCC[C@@]3(OC1=O)[C@H]2CC(=O)[C@@H]1C[C@@](C)(CC[C@@]31C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18+,19+,20+/m0/s1

> <INCHI_KEY>
HWECMADGHQKSLK-KZGWPWDHSA-N

> <FORMULA>
C20H28O3

> <MOLECULAR_WEIGHT>
316.441

> <EXACT_MASS>
316.203844762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
0.0

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,5R,7R,10S,11R)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0^{1,10}.0^{2,7}]hexadecane-8,16-dione

> <JCHEM_LOGP>
4.132638606666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.337845829927456

> <JCHEM_PKA_STRONGEST_BASIC>
-6.954955873600421

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
88.11099999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5R,7R,10S,11R)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0^{1,10}.0^{2,7}]hexadecane-8,16-dione

> <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      10.778   0.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.397  -0.244   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.117   0.612   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.182   1.724   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.496  -0.798   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.965  -0.965   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.055   0.277   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.434  -1.132   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.675   1.686   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.206   1.854   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.765   2.929   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.386   4.338   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       3.234   2.761   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.614   1.352   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.007   2.125   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.071   3.348   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.311   0.751   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.951  -0.650   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.445  -1.022   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.524   0.110   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.699   1.453   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.515   2.437   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.887   3.931   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   10                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   20                                             
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9    3                                                       
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   20                                                  
CONECT   15   14   16   17   22                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   14    7   21                                             
CONECT   21   20   22                                                       
CONECT   22   21   15   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₃

Average Mass

316.4410 Da

Monoisotopic Mass

316.20384 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@]12CCC[C@@]3(OC1=O)[C@H]2CC(=O)[C@@H]1C[C@@](C)(CC[C@@]31C)C=C

InChI Identifier

InChI=1S/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18+,19+,20+/m0/s1

InChI Key

HWECMADGHQKSLK-KZGWPWDHSA-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
Duranta erecta	LOTUS Database	35616633
Holarrhena floribunda	LOTUS Database	35616633

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
Sesquiterpenoid
Naphthofuran
Caprolactone
Oxepane
Gamma butyrolactone
Oxolane
Carboxylic acid ester
Ketone
Lactone
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00000892

Chemspider ID

29365029

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

90473942

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wang SR, Zhang L, Chen HP, Li ZH, Dong ZJ, Wei K, Liu JK: Four new spiroaxane sesquiterpenes and one new rosenonolactone derivative from cultures of Basidiomycete Trametes versicolor. Fitoterapia. 2015 Sep;105:127-31. doi: 10.1016/j.fitote.2015.06.017. Epub 2015 Jun 30. [PubMed:26136058 ]
Wang Y, Zhang L, Wang F, Li ZH, Dong ZJ, Liu JK: New Diterpenes from Cultures of the Fungus Engleromyces goetzii and Their CETP Inhibitory Activity. Nat Prod Bioprospect. 2015 Apr 8. doi: 10.1007/s13659-015-0055-5. [PubMed:25850378 ]
Xu Y, Zhang HW, Yu CY, Lu Y, Chang Y, Zou ZM: Norcyperone, a novel skeleton norsesquiterpene from Cyperus rotundus L. Molecules. 2008 Oct 10;13(10):2474-81. doi: 10.3390/molecules13102474. [PubMed:18923338 ]
LOTUS database [Link]

Showing NP-Card for (1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione (NP0272411)

MOL for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

3D MOL for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

3D SDF for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

3D-SDF for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

PDB for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

3D PDB for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

SMILES for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

INCHI for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

Structure for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)

3D Structure for NP0272411 ((1r,2r,5r,7r,10s,11r)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0¹,¹⁰.0²,⁷]hexadecane-8,16-dione)