NP-MRD: Showing NP-Card for (+)-Dichroanal A (NP0077575)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-28 22:42:13 UTC

Updated at

2022-04-28 22:42:13 UTC

NP-MRD ID

NP0077575

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Dichroanal A

Description

Dichroanal belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (+)-Dichroanal A is found in Salvia dichroantha . (+)-Dichroanal A was first documented in 2003 (PMID: 14535746). Based on a literature review a small amount of articles have been published on Dichroanal (PMID: 19968244) (PMID: 16555851) (PMID: 16555833).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 54  0  0  0  0  0  0  0  0999 V2000
    5.1785    0.1530    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866    1.2106    0.0233 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4413    2.1297   -1.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    0.6086    0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474   -0.2157    1.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183   -0.4894    2.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1699   -0.7995    1.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8762   -1.6371    2.4363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756   -0.5757    0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4909    0.2374   -0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    0.8304   -0.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9319    1.6965   -1.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    2.8975   -1.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315    0.3825   -1.5033 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0776    1.6785   -1.7552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7695   -0.4794   -0.8914 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1127    0.1172   -0.6690 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7253    0.4224   -2.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2391    1.2563    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9729   -1.0215   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4590   -1.5259    1.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0373   -1.0930    1.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922   -1.1473    0.2980 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9823   -2.6452   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7912    0.0543   -0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.8046    0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9069    0.4001    1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002    1.8513    1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6156    1.5919   -2.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377    2.5149   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286    3.0717   -1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1807   -0.1564    2.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289   -1.7820    3.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3294    1.3618   -2.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609   -0.0247   -2.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403    2.2362   -1.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9689   -1.2996   -1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556    1.5170   -2.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7713    0.0716   -2.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355   -0.0854   -2.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8637    0.9928    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3466    1.7145    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9054    2.0276   -0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9838   -0.6080    0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0951   -1.8395   -0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0843   -1.2951    2.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4291   -2.6587    1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9366   -0.1343    2.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6206   -1.8702    2.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879   -3.0228   -0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1614   -2.6265   -0.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -3.1886    0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4 11  2  0
 11 12  1  0
 12 13  2  0
 11 10  1  0
 10  9  2  0
  9  7  1  0
  7  8  1  0
  7  5  2  0
  5  6  1  0
  9 23  1  0
 23 24  1  6
 23 22  1  0
 22 21  1  0
 21 20  1  0
 20 17  1  0
 17 18  1  6
 17 19  1  0
 17 16  1  0
 16 14  1  0
 14 15  1  0
  5  4  1  0
 16 23  1  0
 14 10  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  1
  3 29  1  0
  3 30  1  0
  3 31  1  0
 12 34  1  0
  8 33  1  0
  6 32  1  0
 24 50  1  0
 24 51  1  0
 24 52  1  0
 22 48  1  0
 22 49  1  0
 21 46  1  0
 21 47  1  0
 20 44  1  0
 20 45  1  0
 18 38  1  0
 18 39  1  0
 18 40  1  0
 19 41  1  0
 19 42  1  0
 19 43  1  0
 16 37  1  6
 14 35  1  6
 15 36  1  0
M  END


  Mrv1652304292200422D          

 24 26  0  0  1  0            999 V2000
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2651    2.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566    2.5948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544    1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    2.3355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109   -0.5127    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
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
 12 22  1  0  0  0  0
  9 23  1  6  0  0  0
  4 24  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0077575

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1=C(C=O)C2=C(C(O)=C1O)[C@@]1(C)CCCC(C)(C)[C@H]1[C@H]2O

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O4/c1-10(2)12-11(9-21)13-14(17(24)15(12)22)20(5)8-6-7-19(3,4)18(20)16(13)23/h9-10,16,18,22-24H,6-8H2,1-5H3/t16-,18+,20+/m0/s1

> <INCHI_KEY>
IIYLPCIYUBWRSS-ILZDJORESA-N

> <FORMULA>
C20H28O4

> <MOLECULAR_WEIGHT>
332.44

> <EXACT_MASS>
332.198759382

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
37.25791715882015

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4aS,9R,9aR)-5,6,9-trihydroxy-1,1,4a-trimethyl-7-(propan-2-yl)-2,3,4,4a,9,9a-hexahydro-1H-fluorene-8-carbaldehyde

> <ALOGPS_LOGP>
3.77

> <JCHEM_LOGP>
4.065017828333332

> <ALOGPS_LOGS>
-3.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.383325045474773

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.036641677119881

> <JCHEM_PKA_STRONGEST_BASIC>
-3.250996356148459

> <JCHEM_POLAR_SURFACE_AREA>
77.76

> <JCHEM_REFRACTIVITY>
95.11009999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4bS,8aR,9R)-3,4,9-trihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-1-carbaldehyde

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0       7.393   1.090   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.917  -0.374   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.410  -0.695   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.380   0.450   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.856   1.914   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.362   2.235   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.095   3.751   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.470   3.304   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.610   2.820   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.364   1.914   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.840   0.450   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.810  -0.695   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.303  -0.374   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.173   1.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.858   2.235   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.382   3.699   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.412   4.844   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.679   1.410   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.709   0.266   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.155   2.875   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.727  -1.519   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.285  -2.159   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       3.610   4.360   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.754  -0.957   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   11   24                                             
CONECT    5    4    6    9                                                  
CONECT    6    5    1    7    8                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    5   10   23                                                  
CONECT   10    9   11   15                                                  
CONECT   11   10    4   12                                                  
CONECT   12   11   13   22                                                  
CONECT   13   12   14   21                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   14   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   13                                                            
CONECT   22   12                                                            
CONECT   23    9                                                            
CONECT   24    4                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₄

Average Mass

332.4400 Da

Monoisotopic Mass

332.19876 Da

IUPAC Name

(4aS,9R,9aR)-5,6,9-trihydroxy-1,1,4a-trimethyl-7-(propan-2-yl)-2,3,4,4a,9,9a-hexahydro-1H-fluorene-8-carbaldehyde

Traditional Name

(4bS,8aR,9R)-3,4,9-trihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-fluorene-1-carbaldehyde

CAS Registry Number

Not Available

SMILES

CC(C)C1=C(C=O)C2=C(C(O)=C1O)[C@@]1(C)CCCC(C)(C)[C@H]1[C@H]2O

InChI Identifier

InChI=1S/C20H28O4/c1-10(2)12-11(9-21)13-14(17(24)15(12)22)20(5)8-6-7-19(3,4)18(20)16(13)23/h9-10,16,18,22-24H,6-8H2,1-5H3/t16-,18+,20+/m0/s1

InChI Key

IIYLPCIYUBWRSS-ILZDJORESA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Salvia dichroantha	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Abeoabietane diterpenoid
Diterpenoid
Fluorene
Cumene
Indane
Aryl-aldehyde
Phenol
Benzenoid
Secondary alcohol
Polyol
Aldehyde
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen 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	3.77	ALOGPS
logP	4.07	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.04	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	95.11 m³·mol⁻¹	ChemAxon
Polarizability	37.26 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	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00040940

Chemspider ID

4475657

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5316654

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Node M, Ozeki M, Planas L, Nakano M, Takita H, Mori D, Tamatani S, Kajimoto T: Efficient asymmetric synthesis of abeo-abietane-type diterpenoids by using the intramolecular Heck reaction. J Org Chem. 2010 Jan 1;75(1):190-6. doi: 10.1021/jo901972b. [PubMed:19968244 ]
Planas L, Mogi M, Takita H, Kajimoto T, Node M: Efficient route to 4a-methyltetrahydrofluorenes: a total synthesis of (+/-)-dichroanal B via intramolecular Heck reaction. J Org Chem. 2006 Mar 31;71(7):2896-8. doi: 10.1021/jo052454q. [PubMed:16555851 ]
Banerjee M, Mukhopadhyay R, Achari B, Banerjee AK: General route to 4a-methylhydrofluorene diterpenoids: total syntheses of (+/-)-taiwaniaquinones d and h, (+/-)-taiwaniaquinol B, (+/-)-dichroanal B, and (+/-)-dichroanone. J Org Chem. 2006 Mar 31;71(7):2787-96. doi: 10.1021/jo052589w. [PubMed:16555833 ]
Banerjee M, Mukhopadhyay R, Achari B, Banerjee AK: First total synthesis of the 4a-methyltetrahydrofluorene diterpenoids (+/-)-dichroanal B and (+/-)-dichroanone. Org Lett. 2003 Oct 16;5(21):3931-3. doi: 10.1021/ol035506b. [PubMed:14535746 ]

Showing NP-Card for (+)-Dichroanal A (NP0077575)

MOL for NP0077575 ((+)-Dichroanal A)

3D MOL for NP0077575 ((+)-Dichroanal A)

3D SDF for NP0077575 ((+)-Dichroanal A)

3D-SDF for NP0077575 ((+)-Dichroanal A)

PDB for NP0077575 ((+)-Dichroanal A)

3D PDB for NP0077575 ((+)-Dichroanal A)

SMILES for NP0077575 ((+)-Dichroanal A)

INCHI for NP0077575 ((+)-Dichroanal A)

Structure for NP0077575 ((+)-Dichroanal A)

3D Structure for NP0077575 ((+)-Dichroanal A)