NP-MRD: Showing NP-Card for (-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan (NP0332317)

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Record Information

Version

2.0

Created at

2024-01-04 04:44:10 UTC

Updated at

2024-09-03 04:18:47 UTC

NP-MRD ID

NP0332317

Natural Product DOI

https://doi.org/10.57994/1519

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan

Description

(-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-Neolignan belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. (-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan was first documented in 2024 (PMID: 38395785). Based on a literature review very few articles have been published on (-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-Neolignan.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01042404442D          

 33 35  0  0  1  0            999 V2000
    5.0710    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770    1.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6663    0.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257    1.5632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9807    1.0488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8591    1.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    2.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    3.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.6363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5636    1.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479    1.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866    2.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257   -0.2905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4300   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692   -1.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1825   -1.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    0.2238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2374   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758   -0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5675   -1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725   -2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9925   -1.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0541   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692    0.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4442    0.3306    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  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  6  9  1  6  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21 16  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  2  0  0  0  0
 22 33  1  0  0  0  0
M  END


  Mrv2104 01042404442D          

 33 35  0  0  1  0            999 V2000
    5.0710    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770    1.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6663    0.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257    1.5632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9807    1.0488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8591    1.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    2.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    3.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.6363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5636    1.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479    1.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866    2.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257   -0.2905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4300   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692   -1.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1825   -1.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    0.2238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2374   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758   -0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5675   -1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -2.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3725   -2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9925   -1.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0541   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875   -0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692    0.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4442    0.3306    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  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  6  9  1  6  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21 16  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  2  0  0  0  0
 22 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332317

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC(OC)=C1OC)[C@@H]1[C@@H](C)[C@@]2(OC)C=C(CC=C)C(=O)[C@]1(OC)[C@H]2OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H32O8/c1-9-10-16-13-24(31-7)14(2)20(25(32-8,22(16)27)23(24)33-15(3)26)17-11-18(28-4)21(30-6)19(12-17)29-5/h9,11-14,20,23H,1,10H2,2-8H3/t14-,20+,23+,24+,25+/m1/s1

> <INCHI_KEY>
XVYUKGGYPDGNQN-NXPPGFORSA-N

> <FORMULA>
C25H32O8

> <MOLECULAR_WEIGHT>
460.523

> <EXACT_MASS>
460.20971799

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
48.64300871784264

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,5R,6S,7R,8S)-1,5-dimethoxy-7-methyl-4-oxo-3-(prop-2-en-1-yl)-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-yl acetate

> <JCHEM_LOGP>
3.125390270333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7964361142731757

> <JCHEM_POLAR_SURFACE_AREA>
89.52000000000001

> <JCHEM_REFRACTIVITY>
121.48209999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5R,6S,7R,8S)-1,5-dimethoxy-7-methyl-4-oxo-3-(prop-2-en-1-yl)-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-JAN-24   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JAN-24         0                                  
HETATM    1  C   UNK     0       9.466   2.032   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.984   2.450   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.844   1.339   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.204   1.188   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.536   2.575   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.035   2.918   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.831   1.958   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.604   3.618   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.054   4.637   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.028   5.974   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.602   1.188   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.052   2.013   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.089   3.350   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.443   3.195   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.722   4.754   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.035  -0.542   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.536  -0.200   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.701  -1.354   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       3.303  -2.256   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.074  -3.694   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.831   0.418   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.443  -0.250   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.328  -1.786   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.059  -2.454   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.174  -3.990   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.562  -4.658   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.332  -1.587   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.719  -2.255   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -3.834  -3.791   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.217  -0.051   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -3.489   0.817   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -3.374   2.352   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.829   0.617   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   17                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9   11                                             
CONECT    7    6    8   21                                                  
CONECT    8    7                                                            
CONECT    9    6   10                                                       
CONECT   10    9                                                            
CONECT   11    6   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11   17   19   21                                             
CONECT   17   16    4   18                                                  
CONECT   18   17                                                            
CONECT   19   16   20                                                       
CONECT   20   19                                                            
CONECT   21   16    7   22                                                  
CONECT   22   21   23   33                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   22                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

View in JSmol

Synonyms

Value	Source
(-)-(7S,8R,3’R,4’s,5’s)-δ8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan	Generator

Chemical Formula

C₂₅H₃₂O₈

Average Mass

460.5230 Da

Monoisotopic Mass

460.20972 Da

IUPAC Name

(1R,5R,6S,7R,8S)-1,5-dimethoxy-7-methyl-4-oxo-3-(prop-2-en-1-yl)-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-yl acetate

Traditional Name

(1R,5R,6S,7R,8S)-1,5-dimethoxy-7-methyl-4-oxo-3-(prop-2-en-1-yl)-6-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-2-en-8-yl acetate

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC(OC)=C1OC)[C@@H]1[C@@H](C)[C@@]2(OC)C=C(CC=C)C(=O)[C@]1(OC)[C@H]2OC(C)=O

InChI Identifier

InChI=1S/C25H32O8/c1-9-10-16-13-24(31-7)14(2)20(25(32-8,22(16)27)23(24)33-15(3)26)17-11-18(28-4)21(30-6)19(12-17)29-5/h9,11-14,20,23H,1,10H2,2-8H3/t14-,20+,23+,24+,25+/m1/s1

InChI Key

XVYUKGGYPDGNQN-NXPPGFORSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)	[email protected]	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)	[email protected]	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)	[email protected]	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)	[email protected]	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)	[email protected]	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)	[email protected]	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)	[email protected]	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ocotea aciphylla		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohol esters

Direct Parent

Fatty alcohol esters

Alternative Parents

Substituents

Fatty alcohol ester
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Cyclohexenone
Alkyl aryl ether
Alpha-branched alpha,beta-unsaturated-ketone
Benzenoid
Monosaccharide
Monocyclic benzene moiety
Alpha,beta-unsaturated ketone
Enone
Acryloyl-group
Ketone
Carboxylic acid ester
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	3.13	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	89.52 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	121.48 m³·mol⁻¹	ChemAxon
Polarizability	48.64 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for (-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan (NP0332317)

MOL for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

3D MOL for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

3D SDF for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

3D-SDF for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

PDB for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

3D PDB for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

SMILES for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

INCHI for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

Structure for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)

3D Structure for NP0332317 ((-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan)