NP-MRD: Showing NP-Card for 10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate (NP0228182)

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Record Information

Version

2.0

Created at

2022-09-06 07:44:00 UTC

Updated at

2022-09-06 07:44:00 UTC

NP-MRD ID

NP0228182

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate

Description

10-Hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]Octadec-12-en-3-yl acetate belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. Based on a literature review very few articles have been published on 10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]Octadec-12-en-3-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062209442D          

 40 44  0  0  0  0            999 V2000
    4.3800    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5356    2.6896    0.0000 O   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


  Mrv1652309062209442D          

 40 44  0  0  0  0            999 V2000
    4.3800    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3793    1.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0564    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2959    0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6190   -0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9612    0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2316    0.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819    1.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6918    1.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8816    1.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6112    0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510    0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909   -0.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8807   -0.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4205   -1.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0705   -0.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5307   -0.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7527   -0.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1935   -1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709   -1.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530   -0.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211    0.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3602    1.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7972    1.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4097    2.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5852    2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467    3.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010    0.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289    1.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 34 39  1  0  0  0  0
 26 39  1  0  0  0  0
 20 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0228182

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1OC(CC1C1CC=C2C1(C)CCC1C3(C)C(CC(O)C21C)C(C)(C)OC(=O)CC3OC(C)=O)C=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C33H50O7/c1-18(2)14-20-15-21(29(37-9)39-20)22-10-11-23-31(22,6)13-12-24-32(23,7)26(35)16-25-30(4,5)40-28(36)17-27(33(24,25)8)38-19(3)34/h11,14,20-22,24-27,29,35H,10,12-13,15-17H2,1-9H3

> <INCHI_KEY>
LCZVLEFSLQLZPX-UHFFFAOYSA-N

> <FORMULA>
C33H50O7

> <MOLECULAR_WEIGHT>
558.756

> <EXACT_MASS>
558.35565395

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
90

> <JCHEM_AVERAGE_POLARIZABILITY>
63.26957498545711

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadec-12-en-3-yl acetate

> <JCHEM_LOGP>
4.4125874489999966

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.623872398446505

> <JCHEM_PKA_STRONGEST_BASIC>
-2.963318212919499

> <JCHEM_POLAR_SURFACE_AREA>
91.29000000000002

> <JCHEM_REFRACTIVITY>
152.87810000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadec-12-en-3-yl acetate

> <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       8.176   6.533   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       8.466   5.021   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.921   4.516   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      11.185   5.396   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      12.413   4.467   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.886   4.914   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.010   3.861   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.484   4.308   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.660   2.361   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.908   3.012   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.368   3.042   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.439   1.814   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.886   0.341   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.622  -0.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.394   0.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.899   1.845   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.553   3.239   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.891   3.009   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.379   2.719   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.874   1.264   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.882   0.099   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.890  -1.065   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.377  -1.356   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.385  -2.520   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.865  -1.646   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.857  -0.481   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.405  -0.994   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.228  -2.296   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.319  -2.086   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.099  -0.178   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -0.078   1.352   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -1.533   1.856   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.008   2.443   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.539   2.275   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.355   3.581   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.631   4.941   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.092   4.994   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.447   6.247   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       3.362   0.974   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.974   2.387   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11                                                       
CONECT   11   10    3   12                                                  
CONECT   12   11   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   12   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   39                                                  
CONECT   21   20   15   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   39                                                  
CONECT   27   26   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   34   26   20   40                                             
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Value	Source
10-Hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0,.0,]octadec-12-en-3-yl acetic acid	Generator

Chemical Formula

C₃₃H₅₀O₇

Average Mass

558.7560 Da

Monoisotopic Mass

558.35565 Da

IUPAC Name

10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadec-12-en-3-yl acetate

Traditional Name

10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0^{2,8}.0^{12,16}]octadec-12-en-3-yl acetate

CAS Registry Number

Not Available

SMILES

COC1OC(CC1C1CC=C2C1(C)CCC1C3(C)C(CC(O)C21C)C(C)(C)OC(=O)CC3OC(C)=O)C=C(C)C

InChI Identifier

InChI=1S/C33H50O7/c1-18(2)14-20-15-21(29(37-9)39-20)22-10-11-23-31(22,6)13-12-24-32(23,7)26(35)16-25-30(4,5)40-28(36)17-27(33(24,25)8)38-19(3)34/h11,14,20-22,24-27,29,35H,10,12-13,15-17H2,1-9H3

InChI Key

LCZVLEFSLQLZPX-UHFFFAOYSA-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 limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Limonoids

Alternative Parents

Substituents

Limonoid skeleton
Caprolactone
Oxepane
Dicarboxylic acid or derivatives
Cyclic alcohol
Tetrahydrofuran
Carboxylic acid ester
Lactone
Secondary alcohol
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Organic oxide
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
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	4.41	ChemAxon
pKa (Strongest Acidic)	14.62	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	91.29 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	152.88 m³·mol⁻¹	ChemAxon
Polarizability	63.27 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

163104837

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate (NP0228182)

MOL for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

3D MOL for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

3D SDF for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

3D-SDF for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

PDB for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

3D PDB for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

SMILES for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

INCHI for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

Structure for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)

3D Structure for NP0228182 (10-hydroxy-15-[2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0²,⁸.0¹²,¹⁶]octadec-12-en-3-yl acetate)