NP-MRD: Showing NP-Card for 1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one (NP0149186)

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Record Information

Version

2.0

Created at

2022-09-02 05:02:10 UTC

Updated at

2022-09-02 05:02:10 UTC

NP-MRD ID

NP0149186

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one

Description

2,7-Dihydroxy-2,8-dimethyl-4-vinyl-11-(2,8-dimethyl-7-hydroxy-9,10-dihydrophenanthrene-3-yl)-1,4-ethano-1,2,3,4,9,10-hexahydrophenanthrene-3-one belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation. 1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one is found in Juncus acutus. Based on a literature review very few articles have been published on 2,7-Dihydroxy-2,8-dimethyl-4-vinyl-11-(2,8-dimethyl-7-hydroxy-9,10-dihydrophenanthrene-3-yl)-1,4-ethano-1,2,3,4,9,10-hexahydrophenanthrene-3-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022207022D          

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M  END

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M  END


  Mrv1652309022207022D          

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   -1.0733   -3.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -4.1609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106   -2.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -3.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038    1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861    0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169   -0.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0589    0.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832    0.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    1.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1187    1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8524    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4701    2.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    2.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 29  1  0  0  0  0
 29 30  2  0  0  0  0
  3 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 31 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 29 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0149186

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC2=C(C=C1C1CC3C4=C(C5=CC=C(O)C(C)=C5CC4)C1(C=C)C(=O)C3(C)O)C1=C(CC2)C(C)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C36H36O4/c1-6-36-30(27-16-28-21(15-18(27)2)7-8-22-19(3)31(37)13-11-24(22)28)17-29(35(5,40)34(36)39)26-10-9-23-20(4)32(38)14-12-25(23)33(26)36/h6,11-16,29-30,37-38,40H,1,7-10,17H2,2-5H3

> <INCHI_KEY>
QIGMSQRQJADPJD-UHFFFAOYSA-N

> <FORMULA>
C36H36O4

> <MOLECULAR_WEIGHT>
532.68

> <EXACT_MASS>
532.261359639

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
59.97553216851652

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0^{2,11}.0^{3,8}]hexadeca-2(11),3,5,7-tetraen-14-one

> <ALOGPS_LOGP>
6.15

> <JCHEM_LOGP>
8.202054923666665

> <ALOGPS_LOGS>
-5.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.472450451246406

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.726214035180973

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6992350677843078

> <JCHEM_POLAR_SURFACE_AREA>
77.76

> <JCHEM_REFRACTIVITY>
161.0029

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.80e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0^{2,11}.0^{3,8}]hexadeca-2(11),3,5,7-tetraen-14-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       2.024  -2.781   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.849  -1.481   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.136  -0.116   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.744  -0.212   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.388  -1.500   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.117   1.313   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.337   0.373   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.254   2.351   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.708   2.613   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.412   1.822   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.887   0.912   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.446   0.371   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.194  -1.148   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.248  -1.690   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.438  -0.712   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.186   0.807   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.744   1.349   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.492   2.868   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.879  -1.254   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.131  -2.773   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.941  -3.751   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.500  -3.209   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.310  -4.187   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.562  -5.706   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.003  -6.248   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -2.255  -7.767   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -3.193  -5.270   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.635  -5.811   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.247   2.549   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.961   1.184   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.499   1.120   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.213  -0.245   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.752  -0.309   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.577   0.991   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       9.115   0.927   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       6.863   2.356   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.688   3.656   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.324   2.420   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.611   3.785   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.072   3.849   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11   30                                             
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6   10   29                                                  
CONECT   10    9   11                                                       
CONECT   11   10    3   12                                                  
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12   18                                                  
CONECT   18   17                                                            
CONECT   19   15   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   14   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   21   28                                                  
CONECT   28   27                                                            
CONECT   29    9   30   40                                                  
CONECT   30   29    3   31                                                  
CONECT   31   30   32   38                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   31   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39   29                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₆O₄

Average Mass

532.6800 Da

Monoisotopic Mass

532.26136 Da

IUPAC Name

1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0^{2,11}.0^{3,8}]hexadeca-2(11),3,5,7-tetraen-14-one

Traditional Name

1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0^{2,11}.0^{3,8}]hexadeca-2(11),3,5,7-tetraen-14-one

CAS Registry Number

Not Available

SMILES

CC1=CC2=C(C=C1C1CC3C4=C(C5=CC=C(O)C(C)=C5CC4)C1(C=C)C(=O)C3(C)O)C1=C(CC2)C(C)=C(O)C=C1

InChI Identifier

InChI=1S/C36H36O4/c1-6-36-30(27-16-28-21(15-18(27)2)7-8-22-19(3)31(37)13-11-24(22)28)17-29(35(5,40)34(36)39)26-10-9-23-20(4)32(38)14-12-25(23)33(26)36/h6,11-16,29-30,37-38,40H,1,7-10,17H2,2-5H3

InChI Key

QIGMSQRQJADPJD-UHFFFAOYSA-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

Species Name	Source	Reference
Juncus acutus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Hydrophenanthrenes

Direct Parent

Hydrophenanthrenes

Alternative Parents

Substituents

Hydrophenanthrene
Naphthalene
1-hydroxy-2-unsubstituted benzenoid
Cyclohexenone
Acyloin
Tertiary alcohol
Cyclic alcohol
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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	6.15	ALOGPS
logP	8.2	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	9.73	ChemAxon
pKa (Strongest Basic)	-3.7	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	161 m³·mol⁻¹	ChemAxon
Polarizability	59.98 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	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

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

101234358

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one (NP0149186)

MOL for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

3D MOL for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

3D SDF for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

3D-SDF for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

PDB for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

3D PDB for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

SMILES for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

INCHI for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

Structure for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)

3D Structure for NP0149186 (1-ethenyl-6,13-dihydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-yl)-7,13-dimethyltetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadeca-2(11),3,5,7-tetraen-14-one)