NP-MRD: Showing NP-Card for (3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate (NP0161921)

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Record Information

Version

2.0

Created at

2022-09-02 20:13:50 UTC

Updated at

2022-09-02 20:13:50 UTC

NP-MRD ID

NP0161921

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

Description

(3AR,4R,5aR,6R,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Based on a literature review very few articles have been published on (3aR,4R,5aR,6R,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309022222132D          

 27 29  0  0  1  0            999 V2000
    4.2295   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613    1.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963    1.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.4640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7983   -0.2372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4083   -0.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8429   -1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -2.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -2.4182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975   -3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9321   -4.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422   -5.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7121   -3.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1467   -3.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -0.2887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7591   -1.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.3145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0655   -1.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944    1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.4383    0.0000 C   0  0  1  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  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  2  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 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  2  0  0  0  0
 25 26  1  0  0  0  0
 27 25  1  1  0  0  0
  6 27  1  0  0  0  0
 19 27  1  0  0  0  0
M  END


  Mrv1652309022222132D          

 27 29  0  0  1  0            999 V2000
    4.2295   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613    1.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963    1.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.4640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7983   -0.2372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4083   -0.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8429   -1.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529   -2.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -2.4182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975   -3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9321   -4.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5422   -5.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7121   -3.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1467   -3.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -0.2887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7591   -1.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.3145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0655   -1.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944    1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.4383    0.0000 C   0  0  1  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  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  2  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 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  2  0  0  0  0
 25 26  1  0  0  0  0
 27 25  1  1  0  0  0
  6 27  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0161921

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]3[C@H](OC(=O)C3=C)[C@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C20H26O7/c1-10-4-5-14(23)20(3)8-13(26-19(25)12(9-22)6-7-21)15-11(2)18(24)27-17(15)16(10)20/h4,6,13-17,21-23H,2,5,7-9H2,1,3H3/b12-6+/t13-,14-,15-,16+,17+,20+/m1/s1

> <INCHI_KEY>
GWJXGILYDSNHLU-GEHHXAHPSA-N

> <FORMULA>
C20H26O7

> <MOLECULAR_WEIGHT>
378.421

> <EXACT_MASS>
378.167853177

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
39.329267555270164

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3aR,4R,5aR,6R,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

> <ALOGPS_LOGP>
1.01

> <JCHEM_LOGP>
0.4534174360000004

> <ALOGPS_LOGS>
-2.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.976914247863387

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.397214299207363

> <JCHEM_PKA_STRONGEST_BASIC>
-2.55785634980926

> <JCHEM_POLAR_SURFACE_AREA>
113.29

> <JCHEM_REFRACTIVITY>
97.6583

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3aR,4R,5aR,6R,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6H,7H,9aH,9bH-naphtho[1,2-b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

> <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       7.895  -1.070   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.719  -0.076   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.832   1.460   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.141   2.271   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.406   2.042   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.412   0.866   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.223  -0.443   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.495  -1.800   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.307  -3.109   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.579  -4.466   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.040  -4.514   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.390  -5.775   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.662  -7.132   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.473  -8.441   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.745  -9.798   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.929  -5.727   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.741  -7.036   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.956  -1.848   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.145  -0.539   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.417  -1.896   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.606  -0.587   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -0.122  -1.944   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.206   0.722   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.522   2.079   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.062   2.127   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.790   3.484   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.873   0.818   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   27                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9   18                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   12   17                                                       
CONECT   17   16                                                            
CONECT   18    8   19                                                       
CONECT   19   18   20   21   27                                             
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25    6   19                                                  
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

View in JSmol

Synonyms

Value	Source
(3AR,4R,5ar,6R,9ar,9BR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-2H,3H,3ah,4H,5H,5ah,6H,7H,9ah,9BH-naphtho[1,2-b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid	Generator

Chemical Formula

C₂₀H₂₆O₇

Average Mass

378.4210 Da

Monoisotopic Mass

378.16785 Da

IUPAC Name

(3aR,4R,5aR,6R,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

Traditional Name

(3aR,4R,5aR,6R,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6H,7H,9aH,9bH-naphtho[1,2-b]furan-4-yl (2E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

CAS Registry Number

Not Available

SMILES

CC1=CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]3[C@H](OC(=O)C3=C)[C@H]12

InChI Identifier

InChI=1S/C20H26O7/c1-10-4-5-14(23)20(3)8-13(26-19(25)12(9-22)6-7-21)15-11(2)18(24)27-17(15)16(10)20/h4,6,13-17,21-23H,2,5,7-9H2,1,3H3/b12-6+/t13-,14-,15-,16+,17+,20+/m1/s1

InChI Key

GWJXGILYDSNHLU-GEHHXAHPSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Eudesmanolides, secoeudesmanolides, and derivatives

Alternative Parents

Substituents

Eudesmanolide
Sesquiterpenoid
Naphthofuran
Beta-hydroxy acid
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Gamma butyrolactone
Hydroxy acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Lactone
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Primary alcohol
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	1.01	ALOGPS
logP	0.45	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	14.4	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	113.29 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	97.66 m³·mol⁻¹	ChemAxon
Polarizability	39.33 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

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

162974786

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate (NP0161921)

MOL for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

3D MOL for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

3D SDF for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

3D-SDF for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

PDB for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

3D PDB for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

SMILES for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

INCHI for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

Structure for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)

3D Structure for NP0161921 ((3ar,4r,5ar,6r,9ar,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-4-yl (2e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate)