NP-MRD: Showing NP-Card for (1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate (NP0328077)

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Record Information

Version

2.0

Created at

2022-09-12 11:13:14 UTC

Updated at

2022-09-12 11:13:15 UTC

NP-MRD ID

NP0328077

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate

Description

Sphlendidin C belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. (1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate is found in Salvia splendens. Based on a literature review very few articles have been published on Sphlendidin C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122213132D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309122213132D          

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    2.9286   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -1.2601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6960   -3.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8901   -4.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   -4.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4409   -4.4011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1266   -3.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  6  0  0  0
 11 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  6  0  0  0
 25 34  1  0  0  0  0
  7 34  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 35 39  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0328077

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1[C@@H](C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](OC(C)=O)C1=COC=C1)O[C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C28H36O11/c1-14-18(38-26-24(33)23(32)22(31)20(11-29)39-26)10-28-13-36-25(34)17(28)5-4-6-21(28)27(14,3)9-19(37-15(2)30)16-7-8-35-12-16/h5,7-8,12,14,18-22,24,26,29,31,33H,4,6,9-11,13H2,1-3H3/t14-,18-,19-,20-,21-,22-,24-,26-,27+,28-/m1/s1

> <INCHI_KEY>
DVPUJFIVRJPQPY-OAINTHKMSA-N

> <FORMULA>
C28H36O11

> <MOLECULAR_WEIGHT>
548.585

> <EXACT_MASS>
548.225761979

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
55.073642616772915

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R)-2-[(6aR,7R,8S,9R,10aS)-9-{[(2R,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate

> <JCHEM_LOGP>
1.4402364559999985

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.340535618124026

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.12689683076447

> <JCHEM_PKA_STRONGEST_BASIC>
-2.861470507021485

> <JCHEM_POLAR_SURFACE_AREA>
161.96000000000004

> <JCHEM_REFRACTIVITY>
133.26519999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R)-2-[(6aR,7R,8S,9R,10aS)-9-{[(2R,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       5.843  -7.743   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.329  -7.465   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.331  -8.638   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.812  -6.014   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.297  -5.737   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.780  -4.286   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.778  -3.113   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.760  -4.299   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.450  -2.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.111  -3.095   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.461  -0.794   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.132  -0.015   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.143   1.525   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.482   2.286   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.492   3.826   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.831   4.587   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.842   6.127   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.164   4.605   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.174   6.145   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.175   3.844   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.503   4.623   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -1.186   2.304   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.525   1.544   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.378  -0.143   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.128  -0.812   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.991   0.226   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.627   1.629   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.157   1.457   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.195   2.594   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.467  -0.051   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.795  -0.831   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.785  -2.370   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.446  -3.131   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.117  -2.352   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.299  -6.909   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.661  -8.406   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.350  -9.213   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -0.823  -8.215   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -0.236  -6.792   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   35                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9   34                                             
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   13   23                                                  
CONECT   23   22                                                            
CONECT   24   11   25                                                       
CONECT   25   24   26   30   34                                             
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   25   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   25    7                                                  
CONECT   35    5   36   39                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   35                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₆O₁₁

Average Mass

548.5850 Da

Monoisotopic Mass

548.22576 Da

IUPAC Name

(1R)-2-[(6aR,7R,8S,9R,10aS)-9-{[(2R,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate

Traditional Name

(1R)-2-[(6aR,7R,8S,9R,10aS)-9-{[(2R,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate

CAS Registry Number

Not Available

SMILES

C[C@@H]1[C@@H](C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](OC(C)=O)C1=COC=C1)O[C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O

InChI Identifier

InChI=1S/C28H36O11/c1-14-18(38-26-24(33)23(32)22(31)20(11-29)39-26)10-28-13-36-25(34)17(28)5-4-6-21(28)27(14,3)9-19(37-15(2)30)16-7-8-35-12-16/h5,7-8,12,14,18-22,24,26,29,31,33H,4,6,9-11,13H2,1-3H3/t14-,18-,19-,20-,21-,22-,24-,26-,27+,28-/m1/s1

InChI Key

DVPUJFIVRJPQPY-OAINTHKMSA-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
Salvia splendens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Diterpene glycosides

Alternative Parents

Substituents

Diterpene glycoside
Diterpene lactone
Diterpenoid
Clerodane diterpenoid
Naphthofuran
Dicarboxylic acid or derivatives
Gamma butyrolactone
Monosaccharide
Oxane
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Furan
Tetrahydrofuran
Carboxylic acid ester
Cyclic ketone
Ketone
Lactone
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Carbonyl group
Primary alcohol
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	1.44	ChemAxon
pKa (Strongest Acidic)	11.13	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	161.96 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	133.27 m³·mol⁻¹	ChemAxon
Polarizability	55.07 Å³	ChemAxon
Number of Rings	5	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

76787916

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53348973

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate (NP0328077)

MOL for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

3D MOL for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

3D SDF for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

3D-SDF for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

PDB for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

3D PDB for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

SMILES for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

INCHI for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

Structure for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)

3D Structure for NP0328077 ((1r)-2-[(6ar,7r,8s,9r,10as)-9-{[(2r,3s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]-1-(furan-3-yl)ethyl acetate)