NP-MRD: Showing NP-Card for (1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol (NP0193126)

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Record Information

Version

2.0

Created at

2022-09-04 10:29:42 UTC

Updated at

2022-09-04 10:29:42 UTC

NP-MRD ID

NP0193126

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol

Description

1Beta,4alpha,14-Trihydroxy-13-methoxy-18-norpodocarpane-8,11,13-triene 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. (1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol is found in Taiwania cryptomerioides. Based on a literature review very few articles have been published on 1beta,4alpha,14-Trihydroxy-13-methoxy-18-norpodocarpane-8,11,13-triene.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 47  0  0  0  0  0  0  0  0999 V2000
    5.8043    1.1012   -1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9796    0.5798   -0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    0.4471   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427    0.8342   -1.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5668    0.6908   -1.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968    0.1610   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4665   -0.2261    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8331   -0.0872    0.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815   -0.4574    1.9762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7723   -0.7863    1.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6260   -0.1360    1.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486   -0.6055    0.6695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6696    0.0413   -0.5598 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2151    1.4123   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -0.8570   -1.7062 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5811   -0.3185   -2.8893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5675   -0.8063   -1.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3544   -0.9695   -0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7375   -0.6169    0.7102 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3187    0.6332    1.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707   -1.6666    1.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7428    2.2181   -1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4482    0.7289   -2.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8383    0.7888   -0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    1.2588   -2.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    1.0378   -2.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.8597    2.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754   -0.6157    2.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5989   -1.8623    1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926   -0.5327    2.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5161    0.9510    1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9542   -1.6993    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904    1.7601   -1.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655    2.1645   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3395    1.3150   -0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770   -1.8691   -1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563   -0.8793   -3.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8485    0.1268   -2.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470   -1.6203   -2.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2738   -0.3109   -0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8074   -2.0050   -0.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1416    1.0613    0.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7994    0.4395    2.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213    1.3927    1.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0374   -1.3564    2.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 19  1  0
 19 20  1  0
 19 21  1  1
 19 18  1  0
 18 17  1  0
 17 15  1  0
 15 16  1  0
 15 13  1  0
 13 14  1  6
  7  8  2  0
  8  9  1  0
  8  3  1  0
 13  6  1  0
 13 12  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  5 26  1  0
 10 28  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 12 32  1  6
 20 42  1  0
 20 43  1  0
 20 44  1  0
 21 45  1  0
 18 40  1  0
 18 41  1  0
 17 38  1  0
 17 39  1  0
 15 36  1  1
 16 37  1  0
 14 33  1  0
 14 34  1  0
 14 35  1  0
  9 27  1  0
M  END


  Mrv1652309042212292D          

 21 23  0  0  1  0            999 V2000
    5.2520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3977    1.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2732    1.9515    0.0000 O   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0193126

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C(CC[C@H]3[C@](C)(O)CC[C@@H](O)[C@]23C)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H24O4/c1-16(20)9-8-14(18)17(2)11-5-6-12(21-3)15(19)10(11)4-7-13(16)17/h5-6,13-14,18-20H,4,7-9H2,1-3H3/t13-,14+,16+,17+/m0/s1

> <INCHI_KEY>
JENAOZFFOUZFKN-XOSAIJSUSA-N

> <FORMULA>
C17H24O4

> <MOLECULAR_WEIGHT>
292.375

> <EXACT_MASS>
292.167459253

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
32.35594512255017

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,4R,4aS,10aR)-7-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1,4,8-triol

> <JCHEM_LOGP>
2.0047609789999994

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.383918688479579

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.25530334942391

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9069573285323758

> <JCHEM_POLAR_SURFACE_AREA>
69.92

> <JCHEM_REFRACTIVITY>
80.70259999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4R,4aS,10aR)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       9.804  -0.564   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.034   0.770   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       7.494   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.724  -0.564   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.184  -0.564   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.184   2.104   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.724   2.104   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.494   3.437   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.414   3.437   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.874   3.437   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.644  -0.564   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.874  -1.897   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.742   2.920   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.510   3.643   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12    6   14   15                                             
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   12   20   21                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
1b,4a,14-Trihydroxy-13-methoxy-18-norpodocarpane-8,11,13-triene	Generator
1Β,4α,14-trihydroxy-13-methoxy-18-norpodocarpane-8,11,13-triene	Generator

Chemical Formula

C₁₇H₂₄O₄

Average Mass

292.3750 Da

Monoisotopic Mass

292.16746 Da

IUPAC Name

(1R,4R,4aS,10aR)-7-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1,4,8-triol

Traditional Name

(1R,4R,4aS,10aR)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C(CC[C@H]3[C@](C)(O)CC[C@@H](O)[C@]23C)=C1O

InChI Identifier

InChI=1S/C17H24O4/c1-16(20)9-8-14(18)17(2)11-5-6-12(21-3)15(19)10(11)4-7-13(16)17/h5-6,13-14,18-20H,4,7-9H2,1-3H3/t13-,14+,16+,17+/m0/s1

InChI Key

JENAOZFFOUZFKN-XOSAIJSUSA-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
Taiwania cryptomerioides	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
Tetralin
Anisole
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Polyol
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
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	2	ChemAxon
pKa (Strongest Acidic)	10.26	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	69.92 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	80.7 m³·mol⁻¹	ChemAxon
Polarizability	32.36 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

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PubChem Compound

102478859

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References

General References

LOTUS database [Link]

Showing NP-Card for (1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol (NP0193126)

MOL for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

3D MOL for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

3D SDF for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

3D-SDF for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

PDB for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

3D PDB for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

SMILES for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

INCHI for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

Structure for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)

3D Structure for NP0193126 ((1r,4r,4as,10ar)-7-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4,8-triol)