NP-MRD: Showing NP-Card for (6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione (NP0190632)

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Record Information

Version

2.0

Created at

2022-09-04 07:20:43 UTC

Updated at

2022-09-04 07:20:43 UTC

NP-MRD ID

NP0190632

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione

Description

Scoparasin B belongs to the class of organic compounds known as cytochalasans. These are fungal metabolites structurally characterized by the presence of an isoindolone nucleus fused to a macrocyclic ring, which can either a lactone, as in cytochalasin B, a carbonate, as in cytochalasin E, or a carbocycle, as in cytochalasin D, H, and K. (6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione is found in Eutypella scoparia. (6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione was first documented in 2014 (PMID: 24827690). Based on a literature review very few articles have been published on scoparasin B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042209202D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309042209202D          

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    2.9901   -3.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2498   -3.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950   -2.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547   -2.4267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7692   -2.8857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8240   -3.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290   -2.5215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2011   -3.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912   -2.4325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258   -1.6983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7661   -1.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6597   -1.2393    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2034    1.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011    2.3271    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  1  0  0  0
 19 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
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 28  1  1  0  0  0
 12 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37  8  1  1  0  0  0
 12 37  1  0  0  0  0
  6 38  1  0  0  0  0
 38 39  2  0  0  0  0
  3 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0190632

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C[C@@H]2N=C(O)[C@@]34OC(=O)O\C=C\[C@@](C)(O)C(=O)[C@@H](C)C\C=C\[C@H]3[C@H](O)[C@](C)(O)[C@@H](C)[C@@H]24)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H37NO9/c1-16-7-6-8-20-24(32)28(4,36)17(2)22-21(15-18-9-11-19(37-5)12-10-18)30-25(33)29(20,22)39-26(34)38-14-13-27(3,35)23(16)31/h6,8-14,16-17,20-22,24,32,35-36H,7,15H2,1-5H3,(H,30,33)/b8-6+,14-13+/t16-,17-,20-,21-,22-,24-,27+,28+,29+/m0/s1

> <INCHI_KEY>
YXSYADYLBHSOLA-PZOHNQLKSA-N

> <FORMULA>
C29H37NO9

> <MOLECULAR_WEIGHT>
543.613

> <EXACT_MASS>
543.246831775

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
55.18470622344881

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R,8S,12S,13R,14S,14aS,15S,17aS,17bS)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-2H,6H,7H,8H,9H,12H,13H,14H,14aH,15H,17bH-1,3-dioxacyclotrideca[5,4-e]isoindole-2,7-dione

> <JCHEM_LOGP>
1.7810065983748726

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.696244635062946

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.531252805183608

> <JCHEM_PKA_STRONGEST_BASIC>
4.486094924605705

> <JCHEM_POLAR_SURFACE_AREA>
155.10999999999999

> <JCHEM_REFRACTIVITY>
141.82190000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6R,8S,12S,13R,14S,14aS,15S,17aS,17bS)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8H,9H,12H,14H,14aH,15H,17bH-1,3-dioxacyclotrideca[5,4-e]isoindole-2,7-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       0.753   7.330   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.857   6.256   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.480   4.763   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.584   3.690   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.206   2.197   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.724   1.777   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.347   0.284   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.451  -0.789   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       2.968  -0.527   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       3.473  -1.847   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.211  -2.109   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.613  -2.993   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.972  -1.996   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.349  -0.503   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.363   0.680   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       5.886  -0.400   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.458  -1.830   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.936  -2.639   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.038  -4.176   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.534  -3.808   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.660  -5.585   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.759  -5.033   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.377  -4.353   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.861  -6.569   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.243  -7.249   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.581  -7.426   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.200  -6.746   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.097  -5.210   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.716  -4.530   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.436  -5.387   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.538  -6.923   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.054  -4.707   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.375  -6.186   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.477  -4.541   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -0.048  -3.170   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.430  -2.490   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.231  -2.313   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -0.380   2.851   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.002   4.344   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   39                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   38                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   37                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   29   37                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   12   30                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35    8   12                                                  
CONECT   38    6   39                                                       
CONECT   39   38    3                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₇NO₉

Average Mass

543.6130 Da

Monoisotopic Mass

543.24683 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C[C@@H]2N=C(O)[C@@]34OC(=O)O\C=C\[C@@](C)(O)C(=O)[C@@H](C)C\C=C\[C@H]3[C@H](O)[C@](C)(O)[C@@H](C)[C@@H]24)C=C1

InChI Identifier

InChI=1S/C29H37NO9/c1-16-7-6-8-20-24(32)28(4,36)17(2)22-21(15-18-9-11-19(37-5)12-10-18)30-25(33)29(20,22)39-26(34)38-14-13-27(3,35)23(16)31/h6,8-14,16-17,20-22,24,32,35-36H,7,15H2,1-5H3,(H,30,33)/b8-6+,14-13+/t16-,17-,20-,21-,22-,24-,27+,28+,29+/m0/s1

InChI Key

YXSYADYLBHSOLA-PZOHNQLKSA-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
Eutypella scoparia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cytochalasans. These are fungal metabolites structurally characterized by the presence of an isoindolone nucleus fused to a macrocyclic ring, which can either a lactone, as in cytochalasin B, a carbonate, as in cytochalasin E, or a carbocycle, as in cytochalasin D, H, and K.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Cytochalasans

Sub Class

Not Available

Direct Parent

Cytochalasans

Alternative Parents

Substituents

Cytoglobosin skeleton
Cytochalasan
Isoindolone
Isoindoline
Isoindole
Isoindole or derivatives
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Alkyl aryl ether
Acyloin
Monocyclic benzene moiety
Carbonic acid diester
Benzenoid
Pyrrolidone
2-pyrrolidone
Pyrrolidine
Tertiary alcohol
Cyclic alcohol
Enol ester
Cyclic ketone
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Ketone
Lactam
Carbonic acid derivative
Ether
Carboxylic acid derivative
Polyol
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Alcohol
Organic nitrogen compound
Organonitrogen 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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00041858

Chemspider ID

9817139

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11642398

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Liu JT, Hu B, Gao Y, Zhang JP, Jiao BH, Lu XL, Liu XY: Bioactive tyrosine-derived cytochalasins from fungus Eutypella sp. D-1. Chem Biodivers. 2014 May;11(5):800-6. doi: 10.1002/cbdv.201300218. [PubMed:24827690 ]
LOTUS database [Link]

Showing NP-Card for (6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione (NP0190632)

MOL for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

3D MOL for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

3D SDF for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

3D-SDF for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

PDB for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

3D PDB for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

SMILES for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

INCHI for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

Structure for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)

3D Structure for NP0190632 ((6r,8s,11as,12s,13r,14s,14as,15s,17as)-6,12,13,17-tetrahydroxy-15-[(4-methoxyphenyl)methyl]-6,8,13,14-tetramethyl-8h,9h,11ah,12h,14h,14ah,15h-1,3-dioxacyclotrideca[4,5-d]isoindole-2,7-dione)