NP-MRD: Showing NP-Card for (2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid (NP0212370)

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Record Information

Version

2.0

Created at

2022-09-05 11:01:03 UTC

Updated at

2022-09-05 11:01:03 UTC

NP-MRD ID

NP0212370

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid

Description

Ganoderic Acid C2, also known as ganoderate C2, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid was first documented in 2012 (PMID: 23477148). Based on a literature review a small amount of articles have been published on Ganoderic Acid C2 (PMID: 31836806) (PMID: 28882624) (PMID: 27910775).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052213012D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309052213012D          

 37 40  0  0  1  0            999 V2000
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   -2.7530   -7.3104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9460   -7.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2010   -7.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4559   -8.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2629   -8.8796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5178   -9.6642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149   -8.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3228   -8.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5433   -7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5600   -7.4819    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1120   -6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8571   -6.0842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4091   -5.4711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3849   -4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0993   -3.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3849   -4.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  7  8  1  6  0  0  0
  9  7  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  6  0  0  0
 16 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  6  0  0  0
  2 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0212370

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O

> <INCHI_IDENTIFIER>
InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,23+,28+,29-,30+/m1/s1

> <INCHI_KEY>
RERVSJVGWKIGTJ-RQLZKMEDSA-N

> <FORMULA>
C30H46O7

> <MOLECULAR_WEIGHT>
518.691

> <EXACT_MASS>
518.324353821

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
58.02171838008832

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,6R)-2-methyl-4-oxo-6-[(2S,5S,7R,9S,11R,12S,14R,15R)-5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]heptanoic acid

> <JCHEM_LOGP>
2.7398541986666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.266944654089723

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.351761507767392

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8070069977172668

> <JCHEM_POLAR_SURFACE_AREA>
132.13

> <JCHEM_REFRACTIVITY>
139.7516

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,6R)-2-methyl-4-oxo-6-[(2S,5S,7R,9S,11R,12S,14R,15R)-5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]heptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       3.118  -5.411   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.118  -6.951   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.784  -7.721   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.451  -6.951   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.451  -5.411   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.883  -7.721   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.217  -6.951   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.217  -5.411   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.550  -7.721   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.957  -7.094   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.988  -8.239   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -7.519  -8.078   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -5.218  -9.572   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.749  -9.733   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.694 -11.037   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.663 -12.181   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.157 -11.861   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -2.126 -13.006   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -2.681 -10.397   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.711  -9.252   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.247  -8.776   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.139 -13.646   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.633 -13.326   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.108 -14.790   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.584 -16.255   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.091 -16.575   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -6.567 -18.040   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -7.121 -15.431   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -8.069 -16.644   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -8.481 -14.708   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -6.645 -13.966   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -7.676 -12.822   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.200 -11.357   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -8.230 -10.213   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.452  -7.721   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.785  -6.951   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       4.452  -9.261   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   35                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15   20                                             
CONECT   14   13                                                            
CONECT   15   13   16   33                                                  
CONECT   16   15   17   22                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19    9   13   21                                             
CONECT   21   20                                                            
CONECT   22   16   23   24   31                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   22   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32   15   34                                                  
CONECT   34   33                                                            
CONECT   35    2   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
Ganoderate C2	Generator

Chemical Formula

C₃₀H₄₆O₇

Average Mass

518.6910 Da

Monoisotopic Mass

518.32435 Da

IUPAC Name

(2R,6R)-2-methyl-4-oxo-6-[(2S,5S,7R,9S,11R,12S,14R,15R)-5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]heptanoic acid

Traditional Name

(2R,6R)-2-methyl-4-oxo-6-[(2S,5S,7R,9S,11R,12S,14R,15R)-5,9,12-trihydroxy-2,6,6,11,15-pentamethyl-17-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]heptanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O

InChI Identifier

InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,23+,28+,29-,30+/m1/s1

InChI Key

RERVSJVGWKIGTJ-RQLZKMEDSA-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 triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Trihydroxy bile acid, alcohol, or derivatives
Hydroxy bile acid, alcohol, or derivatives
23-oxosteroid
Bile acid, alcohol, or derivatives
Steroid acid
3-hydroxysteroid
15-hydroxysteroid
Hydroxysteroid
11-oxosteroid
Oxosteroid
14-alpha-methylsteroid
3-beta-hydroxysteroid
7-alpha-hydroxysteroid
7-hydroxysteroid
Steroid
Medium-chain keto acid
Gamma-keto acid
Cyclohexenone
Keto acid
Cyclic alcohol
Ketone
Secondary alcohol
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Polyol
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
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	2.74	ChemAxon
pKa (Strongest Acidic)	4.35	ChemAxon
pKa (Strongest Basic)	-0.81	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	132.13 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	139.75 m³·mol⁻¹	ChemAxon
Polarizability	58.02 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

28485781

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

57396771

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Bharadwaj S, Lee KE, Dwivedi VD, Yadava U, Panwar A, Lucas SJ, Pandey A, Kang SG: Discovery of Ganoderma lucidum triterpenoids as potential inhibitors against Dengue virus NS2B-NS3 protease. Sci Rep. 2019 Dec 13;9(1):19059. doi: 10.1038/s41598-019-55723-5. [PubMed:31836806 ]
Zhao RL, He YM: Network pharmacology analysis of the anti-cancer pharmacological mechanisms of Ganoderma lucidum extract with experimental support using Hepa1-6-bearing C57 BL/6 mice. J Ethnopharmacol. 2018 Jan 10;210:287-295. doi: 10.1016/j.jep.2017.08.041. Epub 2017 Sep 4. [PubMed:28882624 ]
Wu H, Tang S, Huang Z, Zhou Q, Zhang P, Chen Z: Hepatoprotective Effects and Mechanisms of Action of Triterpenoids from Lingzhi or Reishi Medicinal Mushroom Ganoderma lucidum (Agaricomycetes) on alpha-Amanitin-Induced Liver Injury in Mice. Int J Med Mushrooms. 2016;18(9):841-850. doi: 10.1615/IntJMedMushrooms.v18.i9.80. [PubMed:27910775 ]
Li BM, Gu HF, Li Y, Liu C, Wang HQ, Kang J, Wu CH, Chen RY: [Determination of nine triterpenoid acids from Ganoderma lucidum of different producting areas by HPLC]. Zhongguo Zhong Yao Za Zhi. 2012 Dec;37(23):3599-603. [PubMed:23477148 ]
LOTUS database [Link]

Showing NP-Card for (2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid (NP0212370)

MOL for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

3D MOL for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

3D SDF for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

3D-SDF for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

PDB for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

3D PDB for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

SMILES for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

INCHI for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

Structure for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)

3D Structure for NP0212370 ((2r,6r)-6-[(1r,3s,3ar,4s,5ar,7s,9as,11ar)-3,4,7-trihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid)