NP-MRD: Showing NP-Card for (1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one (NP0238757)

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Record Information

Version

2.0

Created at

2022-09-06 22:12:01 UTC

Updated at

2022-09-06 22:12:02 UTC

NP-MRD ID

NP0238757

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one

Description

Leucothol A belongs to the class of organic compounds known as leucothol and grayanotoxane diterpenoids. These are diterpenoids with a structure based either on the leucothol or the grayanotoxane skeleton. (1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one was first documented in 1995 (PMID: 7576367). Based on a literature review very few articles have been published on Leucothol A.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 53 56  0  0  0  0  0  0  0  0999 V2000
   -0.1643    2.9002    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0722    1.6839    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    1.0124   -0.1598 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3194    1.7421    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    1.0483    0.6252 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5963    1.8362   -0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830   -0.3112   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7262   -1.1263    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2404   -0.1998   -1.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   -1.0497    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   -2.2316   -0.2131 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459   -0.3910    0.4207 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0069   -1.1647   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131   -0.4453   -0.0793 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9874   -0.6089    1.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4549   -0.5786    0.8423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7079    0.7571    0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4836    1.6500    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3019    0.9918   -0.4416 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4093   -1.6271   -0.2575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6858   -1.7525   -1.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0846   -2.8816    0.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517   -1.1525   -1.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103    3.4237    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7221    3.4059    0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5196    0.9044   -1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    2.7383    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736    1.9956    1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9714    0.9731    1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.6384   -0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7509   -0.9333    0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388   -2.2238    0.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6397   -0.9232    1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7757    0.6052   -1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117   -1.1633   -1.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3555   -0.1390   -1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548   -0.3573    1.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834   -2.1249    0.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2236   -1.3509   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7647    0.1663    1.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7449   -1.6292    1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1275   -0.8361    1.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0523    0.7074   -0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4920    1.2686    0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7387    2.5616   -0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3015    1.9588    1.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3676    1.1370   -1.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208   -1.8152   -0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6619   -2.6824   -1.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9218   -0.9289   -1.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137   -3.0159    1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7659   -2.0021   -1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804   -0.4601   -1.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 22  1  1
 20 23  1  0
 14 23  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 16 20  1  0
 12  3  1  0
 19 14  1  0
 13 14  1  0
 21 48  1  0
 21 49  1  0
 21 50  1  0
 22 51  1  0
 23 52  1  0
 23 53  1  0
 15 40  1  0
 15 41  1  0
 16 42  1  1
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  6
  1 24  1  0
  1 25  1  0
  3 26  1  6
  4 27  1  0
  4 28  1  0
  5 29  1  1
  6 30  1  0
  8 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
  9 35  1  0
  9 36  1  0
 12 37  1  1
 13 38  1  0
 13 39  1  0
M  END


  Mrv1652309072200122D          

 23 26  0  0  1  0            999 V2000
    1.9563    1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242    0.3859    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1187    0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084    0.0310    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5029    0.2532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5035   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261   -0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5843   -1.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090   -0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041   -1.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1193   -0.4133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3227   -0.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -0.0869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0215    0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045    0.3140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5116    1.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3119    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9191    0.7697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6855   -0.5490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5077   -0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8396   -1.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -0.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 10  1  6  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
  2 19  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  1  0  0  0
 20 23  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0238757

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2C(=C)[C@H]1C[C@H](O)C(C)(C)C(=O)[C@@H]1C3

> <INCHI_IDENTIFIER>
InChI=1S/C20H30O3/c1-11-13-7-16(21)18(2,3)17(22)14(13)9-20-8-12(5-6-15(11)20)19(4,23)10-20/h12-16,21,23H,1,5-10H2,2-4H3/t12-,13-,14-,15+,16+,19-,20-/m1/s1

> <INCHI_KEY>
PPCGOUZKOFOMBR-KORQSVFKSA-N

> <FORMULA>
C20H30O3

> <MOLECULAR_WEIGHT>
318.457

> <EXACT_MASS>
318.219494826

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
36.6305834051212

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,3R,6S,8S,10R,13R,14R)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{3,8}]hexadecan-4-one

> <JCHEM_LOGP>
2.645775670333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.912054829236215

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.530989060742904

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6502671676369393

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
89.63659999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,6S,8S,10R,13R,14R)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{3,8}]hexadecan-4-one

> <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       3.652   3.302   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.241   1.818   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.338   0.720   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.822   1.135   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.922   0.058   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.405   0.473   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.540  -1.434   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.075  -1.551   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.691  -2.966   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.057  -1.849   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.674  -3.340   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       3.956  -0.771   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.469  -1.202   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.286  -0.162   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.040   0.311   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.315   0.586   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.955   2.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.582   2.625   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.716   1.437   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.280  -1.025   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.814  -0.897   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.567  -2.538   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.274  -1.494   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    3   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19   23                                             
CONECT   15   14   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18    2   14                                                  
CONECT   20   16   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20   14                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₀O₃

Average Mass

318.4570 Da

Monoisotopic Mass

318.21949 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2C(=C)[C@H]1C[C@H](O)C(C)(C)C(=O)[C@@H]1C3

InChI Identifier

InChI=1S/C20H30O3/c1-11-13-7-16(21)18(2,3)17(22)14(13)9-20-8-12(5-6-15(11)20)19(4,23)10-20/h12-16,21,23H,1,5-10H2,2-4H3/t12-,13-,14-,15+,16+,19-,20-/m1/s1

InChI Key

PPCGOUZKOFOMBR-KORQSVFKSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as leucothol and grayanotoxane diterpenoids. These are diterpenoids with a structure based either on the leucothol or the grayanotoxane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Leucothol and grayanotoxane diterpenoids

Alternative Parents

Substituents

Leucothol diterpenoid
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00051251

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

101306850

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kraus GA, Su Q, Young VG Jr: Construction of the tetracyclic skeleton of leucothol A. 1,2,4a,5,6,7,8,9,10,10a,11,11a-dodecahydro-11-hydroxy-11-methyl-7- phenylthiomethyl-5aH-5a,8-methano-cyclohepta[b] naphthalen-10-one. Acta Crystallogr C. 1995 Jul 15;51 ( Pt 7):1366-8. doi: 10.1107/s0108270194014071. [PubMed:7576367 ]
LOTUS database [Link]

Showing NP-Card for (1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one (NP0238757)

MOL for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

3D MOL for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

3D SDF for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

3D-SDF for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

PDB for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

3D PDB for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

SMILES for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

INCHI for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

Structure for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)

3D Structure for NP0238757 ((1r,3r,6s,8s,10r,13r,14r)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadecan-4-one)