NP-MRD: Showing NP-Card for (1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde (NP0252635)

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Record Information

Version

2.0

Created at

2022-09-07 16:12:52 UTC

Updated at

2022-09-07 16:12:52 UTC

NP-MRD ID

NP0252635

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde

Description

SCHEMBL96423 belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton. (1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde is found in Eucalyptus incrassata. Based on a literature review very few articles have been published on SCHEMBL96423.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309072218122D          

 33 37  0  0  1  0            999 V2000
    3.7877    0.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202    0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984    1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744    0.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962   -0.6459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954    0.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025   -0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1908   -0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -0.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2028   -1.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903   -1.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7961   -2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963   -2.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -3.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5892   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0139   -2.5783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8144   -2.7781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5217   -2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967   -0.8456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7875   -0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141   -1.9531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4589   -1.4384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2632   -1.6217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6215   -2.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639   -3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596   -3.2922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2764   -4.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312   -0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170   -0.0323    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
  2  4  1  0  0  0  0
  5  4  1  6  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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  2  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  6  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 19 29  1  0  0  0  0
 29 30  1  6  0  0  0
 26 31  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END


  Mrv1652309072218122D          

 33 37  0  0  1  0            999 V2000
    3.7877    0.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202    0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984    1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744    0.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962   -0.6459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954    0.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025   -0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1908   -0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -0.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2028   -1.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903   -1.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7961   -2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963   -2.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -3.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5892   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0139   -2.5783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8144   -2.7781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5217   -2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967   -0.8456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7875   -0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141   -1.9531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4589   -1.4384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2632   -1.6217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6215   -2.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639   -3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596   -3.2922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2764   -4.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312   -0.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170   -0.0323    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
  2  4  1  0  0  0  0
  5  4  1  6  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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  2  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  6  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 19 29  1  0  0  0  0
 29 30  1  6  0  0  0
 26 31  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0252635

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C[C@H]1C2=C(O)C(C=O)=C(O)C(C=O)=C2O[C@]23CC[C@@]1(C)[C@H]2[C@H]1[C@@H](CC[C@@H]3C)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H38O5/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)33-28-10-9-27(19,6)25(28)21-18(26(21,4)5)8-7-15(28)3/h12-15,18-19,21,25,31-32H,7-11H2,1-6H3/t15-,18+,19-,21+,25+,27+,28-/m0/s1

> <INCHI_KEY>
BIAFCXUFUQOOMP-ZTPAUCODSA-N

> <FORMULA>
C28H38O5

> <MOLECULAR_WEIGHT>
454.607

> <EXACT_MASS>
454.271924324

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
50.83294880783419

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,9R,10R,11R,12R,14R,17S)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0^{1,11}.0^{3,8}.0^{12,14}]nonadeca-3,5,7-triene-4,6-dicarbaldehyde

> <JCHEM_LOGP>
7.804785008333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.380101107138819

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.878704488509495

> <JCHEM_PKA_STRONGEST_BASIC>
-4.950062961407446

> <JCHEM_POLAR_SURFACE_AREA>
83.83

> <JCHEM_REFRACTIVITY>
129.248

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,9R,10R,11R,12R,14R,17S)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0^{1,11}.0^{3,8}.0^{12,14}]nonadeca-3,5,7-triene-4,6-dicarbaldehyde

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       7.070   0.711   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.638   1.276   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.410   2.799   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.432   0.318   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.660  -1.206   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.339  -1.998   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.232  -0.928   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.605   0.566   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.751  -1.353   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.356  -0.283   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.837  -0.707   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.379  -2.847   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.102  -3.271   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.486  -3.917   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.113  -5.411   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.367  -5.835   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.966  -3.493   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.759  -4.813   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.254  -5.186   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.574  -4.393   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.947  -2.899   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.154  -1.578   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.070  -0.341   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.253  -3.646   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.457  -2.685   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.958  -3.027   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.627  -4.414   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.959  -5.802   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.458  -6.145   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.116  -7.647   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.504  -1.556   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.645  -0.522   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.872  -0.060   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   22                                                  
CONECT    6    5    7   17                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14    6   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   24   29                                             
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21    5   23   24                                             
CONECT   23   22                                                            
CONECT   24   22   19   25                                                  
CONECT   25   24   26   31                                                  
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   19   30                                                  
CONECT   30   29                                                            
CONECT   31   26   25   32   33                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₈O₅

Average Mass

454.6070 Da

Monoisotopic Mass

454.27192 Da

IUPAC Name

(1S,9R,10R,11R,12R,14R,17S)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0^{1,11}.0^{3,8}.0^{12,14}]nonadeca-3,5,7-triene-4,6-dicarbaldehyde

Traditional Name

(1S,9R,10R,11R,12R,14R,17S)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0^{1,11}.0^{3,8}.0^{12,14}]nonadeca-3,5,7-triene-4,6-dicarbaldehyde

CAS Registry Number

Not Available

SMILES

CC(C)C[C@H]1C2=C(O)C(C=O)=C(O)C(C=O)=C2O[C@]23CC[C@@]1(C)[C@H]2[C@H]1[C@@H](CC[C@@H]3C)C1(C)C

InChI Identifier

InChI=1S/C28H38O5/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)33-28-10-9-27(19,6)25(28)21-18(26(21,4)5)8-7-15(28)3/h12-15,18-19,21,25,31-32H,7-11H2,1-6H3/t15-,18+,19-,21+,25+,27+,28-/m0/s1

InChI Key

BIAFCXUFUQOOMP-ZTPAUCODSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Eucalyptus incrassata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

5,10-cycloaromadendrane sesquiterpenoids

Alternative Parents

Substituents

5,10-cycloaromadendrane sesquiterpenoid
Aryl-aldehyde
Alkyl aryl ether
Benzenoid
Vinylogous acid
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aldehyde
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	7.8	ChemAxon
pKa (Strongest Acidic)	6.88	ChemAxon
pKa (Strongest Basic)	-5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	83.83 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	129.25 m³·mol⁻¹	ChemAxon
Polarizability	50.83 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

9919410

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11744706

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde (NP0252635)

MOL for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

3D MOL for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

3D SDF for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

3D-SDF for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

PDB for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

3D PDB for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

SMILES for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

INCHI for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

Structure for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)

3D Structure for NP0252635 ((1s,9r,10r,11r,12r,14r,17s)-5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.0¹,¹¹.0³,⁸.0¹²,¹⁴]nonadeca-3,5,7-triene-4,6-dicarbaldehyde)