NP-MRD: Showing NP-Card for (2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid (NP0215778)

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Record Information

Version

1.0

Created at

2022-09-05 15:30:22 UTC

Updated at

2022-09-05 15:30:22 UTC

NP-MRD ID

NP0215778

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

Gloeophyllic acid A, also known as gloeophyllate a, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid is found in Fomitopsis pinicola. It was first documented in 2022 (PMID: 36071840). Based on a literature review a significant number of articles have been published on Gloeophyllic acid A (PMID: 36057144) (PMID: 36055055) (PMID: 36069235) (PMID: 36061425).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052217302D          

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M  END

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M  END


  Mrv1652309052217302D          

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   -4.8591   -1.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8217   -0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4244   -1.9351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8113   -1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -1.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -4.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340   -4.3076    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  6  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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  1  0  0  0  0
 18 19  1  0  0  0  0
 10 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  6  0  0  0
 16 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 15 32  1  0  0  0  0
  3 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0215778

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C29H48O5/c1-26(2)22-10-9-21-20(27(22,3)15-14-23(26)30)13-17-28(4)19(12-16-29(21,28)5)18(25(31)32)8-11-24(33-6)34-7/h18-19,22-24,30H,8-17H2,1-7H3,(H,31,32)/t18-,19-,22+,23+,27-,28-,29+/m1/s1

> <INCHI_KEY>
BKYXFMBVCZTLAT-WNBOPUNHSA-N

> <FORMULA>
C29H48O5

> <MOLECULAR_WEIGHT>
476.698

> <EXACT_MASS>
476.350174646

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
55.96043883769449

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-[(2S,5S,7R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-5,5-dimethoxypentanoic acid

> <JCHEM_LOGP>
5.128469976

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.553786825962863

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.652447459942979

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8066928784033559

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
134.20679999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-[(2S,5S,7R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-5,5-dimethoxypentanoic 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       6.783 -10.708   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.243 -10.708   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.473  -9.374   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.933  -9.374   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.163  -8.041   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.623  -8.041   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.147  -9.374   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.687  -9.374   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.623 -10.708   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.147  -6.707   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.480  -5.300   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.665  -4.270   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.998  -5.040   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.159  -3.508   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.463  -4.564   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.607  -5.594   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.287  -7.101   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.823  -7.577   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.678  -6.546   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.202  -8.011   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.072  -5.118   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.752  -6.625   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.216  -6.149   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.681  -5.673   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -9.001  -4.167   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -10.466  -3.691   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -7.857  -3.136   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -9.070  -2.188   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -7.134  -1.777   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.392  -3.612   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -5.248  -2.582   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.783  -3.058   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.243  -8.041   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       6.783  -8.041   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   33                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   19                                             
CONECT   14   13                                                            
CONECT   15   13   16   32                                                  
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   10   13   20                                             
CONECT   20   19                                                            
CONECT   21   16   22   23   30                                             
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27   21   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   15                                                       
CONECT   33    3   34                                                       
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Value	Source
Gloeophyllate a	Generator

Chemical Formula

C₂₉H₄₈O₅

Average Mass

476.6980 Da

Monoisotopic Mass

476.35017 Da

IUPAC Name

(2R)-2-[(2S,5S,7R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-5,5-dimethoxypentanoic acid

Traditional Name

(2R)-2-[(2S,5S,7R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-5,5-dimethoxypentanoic acid

CAS Registry Number

Not Available

SMILES

COC(CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O)OC

InChI Identifier

InChI=1S/C29H48O5/c1-26(2)22-10-9-21-20(27(22,3)15-14-23(26)30)13-17-28(4)19(12-16-29(21,28)5)18(25(31)32)8-11-24(33-6)34-7/h18-19,22-24,30H,8-17H2,1-7H3,(H,31,32)/t18-,19-,22+,23+,27-,28-,29+/m1/s1

InChI Key

BKYXFMBVCZTLAT-WNBOPUNHSA-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
Fomitopsis pinicola	LOTUS Database	35616633

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
Hydroxy bile acid, alcohol, or derivatives
Monohydroxy bile acid, alcohol, or derivatives
Bile acid, alcohol, or derivatives
Steroid acid
3-hydroxysteroid
14-alpha-methylsteroid
3-beta-hydroxysteroid
Hydroxysteroid
Steroid
Cyclic alcohol
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Carbonyl group
Organic oxide
Alcohol
Hydrocarbon derivative
Organooxygen compound
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	5.13	ChemAxon
pKa (Strongest Acidic)	4.65	ChemAxon
pKa (Strongest Basic)	-0.81	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.99 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	134.21 m³·mol⁻¹	ChemAxon
Polarizability	55.96 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

78442719

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12043445

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yi X, Wang F, Feng Y, Zhu J, Wu Y: Danhong injection attenuates doxorubicin-induced cardiotoxicity in rats via suppression of apoptosis: network pharmacology analysis and experimental validation. Front Pharmacol. 2022 Aug 22;13:929302. doi: 10.3389/fphar.2022.929302. eCollection 2022. [PubMed:36071840 ]
Yao L, Zhao R, He S, Feng Q, Qiao Y, Wang P, Li J: Effects of salvianolic acid A and salvianolic acid B in renal interstitial fibrosis via PDGF-C/PDGFR-alpha signaling pathway. Phytomedicine. 2022 Aug 27;106:154414. doi: 10.1016/j.phymed.2022.154414. [PubMed:36057144 ]
Zhu Y, Gu W, Tian R, Li C, Ji Y, Li T, Wei C, Chen Z: Morphological, physiological, and secondary metabolic responses of Taraxacum officinale to salt stress. Plant Physiol Biochem. 2022 Oct 15;189:71-82. doi: 10.1016/j.plaphy.2022.08.002. Epub 2022 Aug 19. [PubMed:36055055 ]
Su C, Tang Y, Wang C, Huang H, Hou H: Platyconic acid A‑induced PPM1A upregulation inhibits the proliferation, inflammation and extracellular matrix deposition of TGF‑beta1‑induced lung fibroblasts. Mol Med Rep. 2022 Nov;26(5):329. doi: 10.3892/mmr.2022.12845. Epub 2022 Sep 7. [PubMed:36069235 ]
Rakicka-Pustulka M, Ziuzia P, Pierwola J, Szymanski K, Wrobel-Kwiatkowska M, Lazar Z: The microbial production of kynurenic acid using Yarrowia lipolytica yeast growing on crude glycerol and soybean molasses. Front Bioeng Biotechnol. 2022 Aug 17;10:936137. doi: 10.3389/fbioe.2022.936137. eCollection 2022. [PubMed:36061425 ]
LOTUS database [Link]

Showing NP-Card for (2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid (NP0215778)

MOL for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

3D MOL for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

3D SDF for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

3D-SDF for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

PDB for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

3D PDB for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

SMILES for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

INCHI for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

Structure for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)

3D Structure for NP0215778 ((2r)-2-[(1r,3ar,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-5,5-dimethoxypentanoic acid)