NP-MRD: Showing NP-Card for (2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid (NP0149529)

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Record Information

Version

2.0

Created at

2022-09-02 05:26:15 UTC

Updated at

2022-09-02 05:26:16 UTC

NP-MRD ID

NP0149529

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

Antcin C belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group. (2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid is found in Taiwanofungus camphoratus. (2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid was first documented in 2018 (PMID: 30583630). Based on a literature review a small amount of articles have been published on Antcin C (PMID: 35804645) (PMID: 33480236).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022207262D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309022207262D          

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    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
  1  2  2  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
  5  6  1  6  0  0  0
  7  5  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  6  0  0  0
 12 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 11 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0149529

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CCC(=C)[C@H](C)C(O)=O)[C@@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3O

> <INCHI_IDENTIFIER>
InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17+,18+,19+,20+,21+,23?,28+,29-/m1/s1

> <INCHI_KEY>
TWISSXUWVGIUBP-SHMNYUAISA-N

> <FORMULA>
C29H42O5

> <MOLECULAR_WEIGHT>
470.65

> <EXACT_MASS>
470.303224452

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
54.049646460363455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,6R)-6-[(2S,6S,7S,11R,14S,15R)-9-hydroxy-2,6,15-trimethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-3-methylideneheptanoic acid

> <ALOGPS_LOGP>
4.13

> <JCHEM_LOGP>
4.796722560000001

> <ALOGPS_LOGS>
-4.98

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.536044807904219

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.845053571633683

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0017330807733513

> <JCHEM_POLAR_SURFACE_AREA>
91.67

> <JCHEM_REFRACTIVITY>
132.12240000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.94e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,6R)-6-[(2S,6S,7S,11R,14S,15R)-9-hydroxy-2,6,15-trimethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-3-methylideneheptanoic acid

> <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       1.784  -9.261   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.784  -7.721   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.451  -6.951   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.883  -7.721   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.217  -6.951   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.217  -5.411   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.550  -7.721   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.957  -7.094   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.988  -8.239   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.218  -9.572   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.694 -11.037   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.663 -12.181   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.157 -11.861   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.126 -13.006   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.681 -10.397   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.711  -9.252   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.247  -8.776   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.139 -13.646   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.633 -13.326   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.108 -14.790   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.584 -16.255   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.091 -16.575   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -6.567 -18.040   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -7.121 -15.431   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.628 -15.751   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.645 -13.966   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -7.676 -12.822   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -7.200 -11.357   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -8.230 -10.213   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.118  -6.951   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.118  -5.411   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.452  -7.721   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.785  -6.951   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.452  -9.261   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   30                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   16                                                  
CONECT   11   10   12   28                                                  
CONECT   12   11   13   18                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15    7   10   17                                             
CONECT   17   16                                                            
CONECT   18   12   19   20   26                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   18   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   11   29                                                  
CONECT   29   28                                                            
CONECT   30    2   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₂O₅

Average Mass

470.6500 Da

Monoisotopic Mass

470.30322 Da

IUPAC Name

(2S,6R)-6-[(2S,6S,7S,11R,14S,15R)-9-hydroxy-2,6,15-trimethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-3-methylideneheptanoic acid

Traditional Name

(2S,6R)-6-[(2S,6S,7S,11R,14S,15R)-9-hydroxy-2,6,15-trimethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-3-methylideneheptanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](CCC(=C)[C@H](C)C(O)=O)[C@@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3O

InChI Identifier

InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17+,18+,19+,20+,21+,23?,28+,29-/m1/s1

InChI Key

TWISSXUWVGIUBP-SHMNYUAISA-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
Taiwanofungus camphoratus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Bile acids, alcohols and derivatives

Direct Parent

Monohydroxy bile acids, alcohols and derivatives

Alternative Parents

Substituents

Ergosterol-skeleton
Ergostane-skeleton
Monohydroxy bile acid, alcohol, or derivatives
Steroid acid
3-oxosteroid
Hydroxysteroid
11-oxosteroid
Oxosteroid
3-oxo-5-alpha-steroid
7-hydroxysteroid
Medium-chain fatty acid
Hydroxy fatty acid
Cyclohexenone
Fatty acid
Fatty acyl
Unsaturated fatty acid
Secondary alcohol
Ketone
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Carbonyl group
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	4.13	ALOGPS
logP	4.8	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	4.85	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	91.67 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	132.12 m³·mol⁻¹	ChemAxon
Polarizability	54.05 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

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

101920688

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yang X, Wang X, Lin J, Lim S, Cao Y, Chen S, Xu P, Xu C, Zheng H, Fu KC, Kuo CL, Huang D: Structure and Anti-Inflammatory Activity Relationship of Ergostanes and Lanostanes in Antrodia cinnamomea. Foods. 2022 Jun 22;11(13):1831. doi: 10.3390/foods11131831. [PubMed:35804645 ]
Ling W, Cui Y, Gao J, Li R, Jiang X, Tian Y, Wang K, Cui J: Antcin C ameliorates neuronal inflammation due to cerebral haemorrhage by inhibiting the TLR-4 pathway. Folia Neuropathol. 2020;58(4):317-323. doi: 10.5114/fn.2020.102434. [PubMed:33480236 ]
Wu Y, Tian WJ, Lin PX, Luo JM, Lin T, Chen HF: [Determination of three anthroic acids in petri dish cultured Antrodia camphorate by quantitative analysis of multi-component with single marker]. Zhongguo Zhong Yao Za Zhi. 2018 Nov;43(21):4283-4287. doi: 10.19540/j.cnki.cjcmm.2018.0114. [PubMed:30583630 ]
LOTUS database [Link]

Showing NP-Card for (2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid (NP0149529)

MOL for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

3D MOL for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

3D SDF for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

3D-SDF for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

PDB for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

3D PDB for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

SMILES for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

INCHI for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

Structure for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)

3D Structure for NP0149529 ((2s,6r)-6-[(1s,3ar,5as,6s,9as,11ar)-4-hydroxy-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid)