NP-MRD: Showing NP-Card for (3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate (NP0351140)

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Record Information

Version

2.0

Created at

2025-06-09 17:31:57 UTC

Updated at

2025-07-24 18:38:51 UTC

NP-MRD ID

NP0351140

Natural Product DOI

https://doi.org/10.57994/4129

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Description

Based on a literature review very few articles have been published on (3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01012318192D          

 36 38  0  0  1  0            999 V2000
    0.5433   -1.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -1.2680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5983   -0.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7913   -0.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5363    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392   -0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7812   -1.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3115   -0.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2509   -0.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7812   -3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -4.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0668   -3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -2.7604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3523   -3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8532   -2.6029    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  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  3  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  6  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 23  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  6  0  0  0
 30 28  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 35 30  1  0  0  0  0
  8 35  1  0  0  0  0
 35 36  1  1  0  0  0
  2 36  1  0  0  0  0
M  END


  Mrv2104 01012318192D          

 36 38  0  0  1  0            999 V2000
    0.5433   -1.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -1.2680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5983   -0.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7913   -0.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5363    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392   -0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7812   -1.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3115   -0.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2509   -0.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7812   -3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -4.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0668   -3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -2.7604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3523   -3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8532   -2.6029    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  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  3  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  6  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 23  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  6  0  0  0
 30 28  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 35 30  1  0  0  0  0
  8 35  1  0  0  0  0
 35 36  1  1  0  0  0
  2 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351140

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12[C@@H](OC(=O)C(C)C)[C@@H]3[C@@H](CN(C)C)C(=O)O[C@@H]3[C@H](OC(C)=O)[C@]1(C)[C@H](CC[C@]2(C)O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H39NO9/c1-12(2)22(29)34-18-17-15(11-26(7)8)23(30)35-19(17)21(33-14(4)28)25(6)16(32-13(3)27)9-10-24(5,31)20(18)25/h12,15-21,31H,9-11H2,1-8H3/t15-,16+,17+,18+,19+,20+,21+,24+,25-/m1/s1

> <INCHI_KEY>
HZLIPNDDJKFVST-FOSMCWCMSA-N

> <FORMULA>
C25H39NO9

> <MOLECULAR_WEIGHT>
497.585

> <EXACT_MASS>
497.26248184

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
51.401565733062405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-8,9-bis(acetyloxy)-3-[(dimethylamino)methyl]-5-hydroxy-5,8a-dimethyl-2-oxo-dodecahydronaphtho[2,3-b]furan-4-yl 2-methylpropanoate

> <JCHEM_LOGP>
0.7902206506666678

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.676087727689096

> <JCHEM_PKA_STRONGEST_BASIC>
9.253250283146638

> <JCHEM_POLAR_SURFACE_AREA>
128.67000000000002

> <JCHEM_REFRACTIVITY>
122.65090000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-8,9-bis(acetyloxy)-3-[(dimethylamino)methyl]-5-hydroxy-5,8a-dimethyl-2-oxo-octahydro-3H-naphtho[2,3-b]furan-4-yl 2-methylpropanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JAN-23         0                                  
HETATM    1  O   UNK     0       1.014  -3.613   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.554  -3.613   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.459  -2.367   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.983  -0.902   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       1.477  -0.582   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       1.001   0.882   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.447  -1.727   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.258  -0.533   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.591   0.237   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.591   1.777   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.258   2.547   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.925   2.547   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.925  -0.533   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.591  -2.843   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0       8.925  -3.613   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0       8.925  -2.073   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.915  -0.893   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       7.935  -0.893   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.259  -2.843   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.259  -4.383   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.925  -5.153   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.925  -6.693   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.259  -7.463   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.592  -6.693   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.259  -9.003   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.591  -4.383   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.591  -5.923   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.258  -5.153   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.258  -6.693   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       4.924  -7.463   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.924  -9.003   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.590  -6.693   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.924  -4.383   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       3.459  -4.859   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    3    9   35                                                  
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11                                                            
CONECT   16    9   17   18   28                                             
CONECT   17   16                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   16   29   30                                             
CONECT   29   28                                                            
CONECT   30   28   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   30    8   36                                                  
CONECT   36   35    2                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

View in JSmol

Synonyms

Value	Source
(3S,3AS,4S,4as,5S,8S,8as,9R,9as)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetic acid	Generator

Chemical Formula

C₂₅H₃₉NO₉

Average Mass

497.5850 Da

Monoisotopic Mass

497.26248 Da

IUPAC Name

(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-8,9-bis(acetyloxy)-3-[(dimethylamino)methyl]-5-hydroxy-5,8a-dimethyl-2-oxo-dodecahydronaphtho[2,3-b]furan-4-yl 2-methylpropanoate

Traditional Name

(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-8,9-bis(acetyloxy)-3-[(dimethylamino)methyl]-5-hydroxy-5,8a-dimethyl-2-oxo-octahydro-3H-naphtho[2,3-b]furan-4-yl 2-methylpropanoate

CAS Registry Number

Not Available

SMILES

[H][C@@]12[C@@H](OC(=O)C(C)C)[C@@H]3[C@@H](CN(C)C)C(=O)O[C@@H]3[C@H](OC(C)=O)[C@]1(C)[C@H](CC[C@]2(C)O)OC(C)=O

InChI Identifier

InChI=1S/C25H39NO9/c1-12(2)22(29)34-18-17-15(11-26(7)8)23(30)35-19(17)21(33-14(4)28)25(6)16(32-13(3)27)9-10-24(5,31)20(18)25/h12,15-21,31H,9-11H2,1-8H3/t15-,16+,17+,18+,19+,20+,21+,24+,25-/m1/s1

InChI Key

HZLIPNDDJKFVST-FOSMCWCMSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	1479034609@qq.com	Hainan Normal University	1479034609@qq.com	2025-06-08	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)	1479034609@qq.com	Hainan Normal University	1479034609@qq.com	2025-06-08	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	1479034609@qq.com	Hainan Normal University	1479034609@qq.com	2025-06-08	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	1479034609@qq.com	Hainan Normal University	1479034609@qq.com	2025-06-08	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	1479034609@qq.com	Hainan Normal University	1479034609@qq.com	2025-06-08	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	1479034609@qq.com	Hainan Normal University	1479034609@qq.com	2025-06-08	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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	0.79	ChemAxon
pKa (Strongest Acidic)	14.68	ChemAxon
pKa (Strongest Basic)	9.25	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	128.67 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	122.65 m³·mol⁻¹	ChemAxon
Polarizability	51.4 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

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 (3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate (NP0351140)

MOL for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

3D MOL for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

3D SDF for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

3D-SDF for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

PDB for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

3D PDB for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

SMILES for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

INCHI for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

Structure for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)

3D Structure for NP0351140 ((3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate)