NP-MRD: Showing NP-Card for 18-Nor-8(17),13E-labdadiene-4alpha,15-diol (NP0066094)

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Record Information

Version

2.0

Created at

2022-04-28 10:15:33 UTC

Updated at

2022-04-28 10:15:33 UTC

NP-MRD ID

NP0066094

Secondary Accession Numbers

None

Natural Product Identification

Common Name

18-Nor-8(17),13E-labdadiene-4alpha,15-diol

Description

18-Norlabda-8(20),13-diene-4alpha,15-diol belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 18-Nor-8(17),13E-labdadiene-4alpha,15-diol is found in Pinus contorta . 18-Norlabda-8(20),13-diene-4alpha,15-diol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 53 54  0  0  0  0  0  0  0  0999 V2000
    0.5413   -2.7316    1.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -1.9067    1.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6730   -1.8575    2.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164   -0.9898    1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4035   -0.4181    0.1761 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4512    0.4967   -0.3386 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8603    1.6200    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143   -0.2972   -0.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0611    0.9416   -1.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8028    1.7787   -1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692    0.9273   -1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9906    0.1542    0.1525 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7232    0.9530    1.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1078   -1.0719    0.1803 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2867   -0.8080   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695   -0.1116    0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5392   -0.0571    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832   -1.3441   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1115    1.0935   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4286    1.1870   -0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3791    1.8865   -1.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3957   -3.3844    2.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -2.8252    1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -1.5241    3.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0529   -2.9094    2.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0354   -0.2481    2.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6474   -1.6191    1.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3733   -1.2830   -0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7956    2.0573    0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1683    2.4785    0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1799    1.2310    1.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1052   -0.3856    0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445    1.5224   -2.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614    0.0293   -2.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    2.7165   -1.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204    2.0809   -2.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3934    0.2334   -1.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157    1.5641   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103    0.4301    2.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2442    1.9209    1.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662    1.2129    1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5275   -1.7065   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8365   -1.7715   -0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775   -0.2282   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3563   -0.6465    1.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688    0.9374    1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633   -2.1562    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2461   -1.4059    0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861   -1.5160   -1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389    1.9855    0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8646    0.1910   -0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625    1.7394   -0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5018    1.8344   -2.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
  2 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 14 12  1  0
 12 13  1  1
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  6  1  0
  6  7  1  0
  6  8  1  6
 12  5  1  0
  6  5  1  0
  5 28  1  6
  4 26  1  0
  4 27  1  0
  3 24  1  0
  3 25  1  0
  1 22  1  0
  1 23  1  0
 14 42  1  6
 15 43  1  0
 15 44  1  0
 16 45  1  0
 16 46  1  0
 18 47  1  0
 18 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 21 53  1  0
 13 39  1  0
 13 40  1  0
 13 41  1  0
 11 37  1  0
 11 38  1  0
 10 35  1  0
 10 36  1  0
  9 33  1  0
  9 34  1  0
  7 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
M  END


  Mrv1652309272006312D          

 22 23  0  0  0  0            999 V2000
10000.3833 9999.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6329 9996.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.6249 9996.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.670310000.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.955910000.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.955910001.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.670310001.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.670310002.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.385410003.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.241410001.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2414 9999.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3833 9997.0389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10001.0959 9999.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3814 9998.8741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3814 9998.0490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.0959 9997.6366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.8104 9998.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8104 9998.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6698 9999.2866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9553 9998.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9553 9998.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6698 9997.6366    0.0000 C   0  0  0  0  0  0  0  0  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
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 11  2  0  0  0  0
 19  4  1  6  0  0  0
 16  2  1  6  0  0  0
 16  3  1  1  0  0  0
 22 15  1  0  0  0  0
 15 12  1  1  0  0  0
 19 14  1  0  0  0  0
 14  1  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0066094

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CCC(=C)[C@H](CC\C(C)=C\CO)[C@@]1(C)CCC[C@@]2(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C19H32O2/c1-14(10-13-20)6-8-16-15(2)7-9-17-18(16,3)11-5-12-19(17,4)21/h10,16-17,20-21H,2,5-9,11-13H2,1,3-4H3/b14-10+/t16-,17+,18+,19+/m0/s1

> <INCHI_KEY>
ZHMKECHJAPXWCT-YEAYZCRZSA-N

> <FORMULA>
C19H32O2

> <MOLECULAR_WEIGHT>
292.463

> <EXACT_MASS>
292.24023027

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
35.55745310891068

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,4aR,5S,8aR)-5-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-decahydronaphthalen-1-ol

> <ALOGPS_LOGP>
4.28

> <JCHEM_LOGP>
3.5440561013333336

> <ALOGPS_LOGS>
-4.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.330030360416742

> <JCHEM_PKA_STRONGEST_BASIC>
-0.46171994485396073

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
89.26079999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4aR,5S,8aR)-5-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalen-1-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8667.3828666.111   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8667.8488660.967   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8669.7008661.063   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0    8666.0518666.887   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8664.7188667.653   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8664.7188669.193   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8666.0518669.967   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8666.0518671.507   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0    8667.3868672.273   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0    8663.3848669.967   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8663.3848665.339   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0    8667.3828661.139   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0    8668.7128665.335   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8667.3798664.565   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8667.3798663.025   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8668.7128662.255   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8670.0468663.025   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8670.0468664.565   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8666.0508665.335   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8664.7178664.565   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8664.7178663.025   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8666.0508662.255   0.000  0.00  0.00           C+0
CONECT    1   14                                                            
CONECT    2   16                                                            
CONECT    3   16                                                            
CONECT    4    5   19                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    6                                                            
CONECT   11   20                                                            
CONECT   12   15                                                            
CONECT   13   14   18                                                       
CONECT   14   13   15   19    1                                             
CONECT   15   14   16   22   12                                             
CONECT   16   15   17    2    3                                             
CONECT   17   16   18                                                       
CONECT   18   13   17                                                       
CONECT   19   20    4   14                                                  
CONECT   20   19   21   11                                                  
CONECT   21   20   22                                                       
CONECT   22   21   15                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
18-Norlabda-8(20),13-diene-4a,15-diol	Generator
18-Norlabda-8(20),13-diene-4α,15-diol	Generator
18-Norlabda-8(17),13-diene-4alpha,15-diol	PhytoBank
(4alpha,13E)-18-Nor-8(17),13-labdadiene-4,15-diol	PhytoBank

Chemical Formula

C₁₉H₃₂O₂

Average Mass

292.4630 Da

Monoisotopic Mass

292.24023 Da

IUPAC Name

(1R,4aR,5S,8aR)-5-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-decahydronaphthalen-1-ol

Traditional Name

(1R,4aR,5S,8aR)-5-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalen-1-ol

CAS Registry Number

Not Available

SMILES

[H][C@@]12CCC(=C)[C@H](CC\C(C)=C\CO)[C@@]1(C)CCC[C@@]2(C)O

InChI Identifier

InChI=1S/C19H32O2/c1-14(10-13-20)6-8-16-15(2)7-9-17-18(16,3)11-5-12-19(17,4)21/h10,16-17,20-21H,2,5-9,11-13H2,1,3-4H3/b14-10+/t16-,17+,18+,19+/m0/s1

InChI Key

ZHMKECHJAPXWCT-YEAYZCRZSA-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
Pinus contorta	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Fatty alcohols

Alternative Parents

Substituents

Fatty alcohol
Tertiary alcohol
Cyclic alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic 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	4.28	ALOGPS
logP	3.54	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	16.33	ChemAxon
pKa (Strongest Basic)	-0.46	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	89.26 m³·mol⁻¹	ChemAxon
Polarizability	35.56 Å³	ChemAxon
Number of Rings	2	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

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

101277956

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 18-Nor-8(17),13E-labdadiene-4alpha,15-diol (NP0066094)

MOL for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

3D MOL for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

3D SDF for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

3D-SDF for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

PDB for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

3D PDB for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

SMILES for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

INCHI for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

Structure for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)

3D Structure for NP0066094 (18-Nor-8(17),13E-labdadiene-4alpha,15-diol)