NP-MRD: Showing NP-Card for 1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone (NP0143012)

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Record Information

Version

2.0

Created at

2022-09-01 21:40:56 UTC

Updated at

2022-09-01 21:40:56 UTC

NP-MRD ID

NP0143012

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone

Description

Cynandione C belongs to the class of organic compounds known as dibenzopyrans. These are organic heterocyclic compounds with a structure containing a dibenzopyran moiety, made up of two benzene rings fused to a central pyran ring. Based on a literature review very few articles have been published on Cynandione C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309012223402D          

 42 48  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309012223402D          

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    0.6873   -2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8196   -1.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019   -1.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079    0.6304    0.0000 O   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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 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  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 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
 38 40  2  0  0  0  0
 33 40  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 16 41  1  0  0  0  0
 18 42  1  0  0  0  0
  7 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0143012

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)C1=CC=C2O[C@@]3(C)C[C@]4(OC5=CC=C(C(C)=O)C(O)=C5C5=C(O)C=CC(O)=C45)OC4=C3C(=C(O)C=C4)C2=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C32H24O10/c1-13(33)15-4-9-20-25(29(15)38)24-18(36)8-11-22-28(24)31(3,40-20)12-32(42-22)27-19(37)7-6-17(35)23(27)26-21(41-32)10-5-16(14(2)34)30(26)39/h4-11,35-39H,12H2,1-3H3/t31-,32-/m0/s1

> <INCHI_KEY>
LFKRJFSGIZBCLS-ACHIHNKUSA-N

> <FORMULA>
C32H24O10

> <MOLECULAR_WEIGHT>
568.534

> <EXACT_MASS>
568.136946973

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
58.30785578709797

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(6S,9'S)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethan-1-one

> <ALOGPS_LOGP>
4.18

> <JCHEM_LOGP>
5.995633603666667

> <ALOGPS_LOGS>
-4.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.527651925213668

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.039889130269936

> <JCHEM_PKA_STRONGEST_BASIC>
-4.940843784189246

> <JCHEM_POLAR_SURFACE_AREA>
162.98

> <JCHEM_REFRACTIVITY>
149.26469999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.65e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(6S,9'S)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.993   1.584   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.054   0.363   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -7.641  -1.060   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -5.528   0.567   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.940   1.990   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.414   2.194   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.475   0.973   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.062  -0.450   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.588  -0.654   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -5.175  -2.077   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.122  -1.671   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.709  -3.094   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -4.236  -3.298   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.770  -4.315   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.243  -4.111   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.344  -2.688   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.596  -1.467   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.009  -0.044   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.578   1.380   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.518   0.160   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.457  -1.060   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       3.044   0.363   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.571   0.567   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.158   1.990   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.685   2.194   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.624   0.973   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.150   1.177   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.738   2.600   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.090  -0.044   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       7.037  -0.450   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       7.976  -1.671   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.510  -0.654   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.923  -2.077   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.863  -3.298   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       7.389  -3.094   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       5.275  -4.721   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.749  -4.925   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.810  -3.704   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       1.283  -3.908   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       3.397  -2.281   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       1.870  -2.484   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -0.948   1.177   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   42                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8    4   10                                                  
CONECT   10    9                                                            
CONECT   11    8   12   17                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   41                                                  
CONECT   17   16   11   18                                                  
CONECT   18   17   19   20   42                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   40   41                                             
CONECT   22   21   23                                                       
CONECT   23   22   24   32                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   26   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   23   33                                                  
CONECT   33   32   34   40                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   33   21                                                  
CONECT   41   21   16                                                       
CONECT   42   18    7                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₂₄O₁₀

Average Mass

568.5340 Da

Monoisotopic Mass

568.13695 Da

IUPAC Name

1-[(6S,9'S)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethan-1-one

Traditional Name

1-[(6S,9'S)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone

CAS Registry Number

Not Available

SMILES

CC(=O)C1=CC=C2O[C@@]3(C)C[C@]4(OC5=CC=C(C(C)=O)C(O)=C5C5=C(O)C=CC(O)=C45)OC4=C3C(=C(O)C=C4)C2=C1O

InChI Identifier

InChI=1S/C32H24O10/c1-13(33)15-4-9-20-25(29(15)38)24-18(36)8-11-22-28(24)31(3,40-20)12-32(42-22)27-19(37)7-6-17(35)23(27)26-21(41-32)10-5-16(14(2)34)30(26)39/h4-11,35-39H,12H2,1-3H3/t31-,32-/m0/s1

InChI Key

LFKRJFSGIZBCLS-ACHIHNKUSA-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 dibenzopyrans. These are organic heterocyclic compounds with a structure containing a dibenzopyran moiety, made up of two benzene rings fused to a central pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Dibenzopyrans

Alternative Parents

Substituents

Dibenzopyran
2-benzopyran
Acetophenone
Aryl ketone
Aryl alkyl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Ketal
Alkyl aryl ether
Benzenoid
Vinylogous acid
Ketone
Acetal
Oxacycle
Polyol
Ether
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aldehyde
Organic oxygen 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	4.18	ALOGPS
logP	6	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	8.04	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	162.98 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	149.26 m³·mol⁻¹	ChemAxon
Polarizability	58.31 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

8658497

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10483090

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone (NP0143012)

MOL for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

3D MOL for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

3D SDF for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

3D-SDF for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

PDB for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

3D PDB for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

SMILES for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

INCHI for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

Structure for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)

3D Structure for NP0143012 (1-[(6s,9's)-4'-acetyl-1,3',7,10,16'-pentahydroxy-9'-methyl-8',12'-dioxaspiro[benzo[c]chromene-6,11'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-1'(16'),2',4',6',13'(17'),14'-hexaen-2-yl]ethanone)