NP-MRD: Showing NP-Card for (2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one (NP0217459)

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Record Information

Version

2.0

Created at

2022-09-05 17:49:00 UTC

Updated at

2022-09-05 17:49:00 UTC

NP-MRD ID

NP0217459

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one

Description

(2R,4'aS,8'aS)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-6-one belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. (2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one is found in Stachybotrys cylindrospora. Based on a literature review very few articles have been published on (2R,4'aS,8'aS)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-6-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052219492D          

 31 35  0  0  1  0            999 V2000
    3.2810    3.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0367    3.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7012    3.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4569    3.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5482    2.3429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3039    2.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4986    2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1273    1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1510    0.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751    1.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838    1.8538    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4030    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280    2.1847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1331    1.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0192    0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5082   -0.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1993    0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102    0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0411    1.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3418    2.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246    2.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127    1.8044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430    2.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343    2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8901    3.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8892    0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410    0.3820    0.0000 O   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  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
  2 15  1  0  0  0  0
 15 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
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END


  Mrv1652309052219492D          

 31 35  0  0  1  0            999 V2000
    3.2810    3.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0367    3.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7012    3.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4569    3.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5482    2.3429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3039    2.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4986    2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1273    1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1510    0.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751    1.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838    1.8538    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4030    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280    2.1847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1331    1.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0192    0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5082   -0.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1993    0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102    0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0411    1.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3418    2.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246    2.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127    1.8044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430    2.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343    2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8901    3.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8892    0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410    0.3820    0.0000 O   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  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
  2 15  1  0  0  0  0
 15 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
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0217459

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC[C@H]2C(C)(C)C(O)CC[C@]2(C)[C@@]11CC2=C(O)C=C3C(=O)N(CCO)CC3=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14?,19-,20?,24-,25+/m0/s1

> <INCHI_KEY>
ZHECNBLIOXZXBL-GCFLGIIRSA-N

> <FORMULA>
C25H35NO5

> <MOLECULAR_WEIGHT>
429.557

> <EXACT_MASS>
429.251523231

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
48.07022310368917

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,4'aS,8'aS)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-6-one

> <JCHEM_LOGP>
2.8106868710000006

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.666030543826146

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.944759743992623

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7689435397337369

> <JCHEM_POLAR_SURFACE_AREA>
90.22999999999999

> <JCHEM_REFRACTIVITY>
118.26309999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R,4'aS,8'aS)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       6.125   6.226   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.535   5.609   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.775   6.522   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.186   5.904   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.357   4.373   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.767   3.756   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.131   5.252   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.304   3.658   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.938   2.225   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      13.348   1.607   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.697   1.312   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.287   1.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.116   3.460   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.219   2.209   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.706   4.078   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.715   2.538   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.254   2.053   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.636   0.643   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.549  -0.598   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.105   0.472   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.192   1.712   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.810   3.123   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.341   3.294   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.238   4.545   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.659   4.146   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       1.330   3.368   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      -0.080   3.986   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.251   5.516   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.661   6.134   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.660   1.864   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.637   0.713   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   13                                                  
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    5   14   15                                             
CONECT   14   13                                                            
CONECT   15   13    2   16   24                                             
CONECT   16   15   17                                                       
CONECT   17   16   18   23                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   30                                                  
CONECT   22   21   23   25                                                  
CONECT   23   22   17   24                                                  
CONECT   24   23   15                                                       
CONECT   25   22   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   26   21   31                                                  
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   70    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₅NO₅

Average Mass

429.5570 Da

Monoisotopic Mass

429.25152 Da

IUPAC Name

(2R,4'aS,8'aS)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,5',6,6',7,7',8,8',8'a-dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-6-one

Traditional Name

(2R,4'aS,8'aS)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-6-one

CAS Registry Number

Not Available

SMILES

CC1CC[C@H]2C(C)(C)C(O)CC[C@]2(C)[C@@]11CC2=C(O)C=C3C(=O)N(CCO)CC3=C2O1

InChI Identifier

InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14?,19-,20?,24-,25+/m0/s1

InChI Key

ZHECNBLIOXZXBL-GCFLGIIRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Stachybotrys cylindrospora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoindoles and derivatives

Sub Class

Isoindolines

Direct Parent

Isoindolones

Alternative Parents

Substituents

Isoindolone
Coumaran
Isoindole
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Tertiary carboxylic acid amide
Cyclic alcohol
Secondary alcohol
Lactam
Carboxamide group
Oxacycle
Azacycle
Ether
Carboxylic acid derivative
Alkanolamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Alcohol
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	2.81	ChemAxon
pKa (Strongest Acidic)	8.94	ChemAxon
pKa (Strongest Basic)	-0.77	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	90.23 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	118.26 m³·mol⁻¹	ChemAxon
Polarizability	48.07 Å³	ChemAxon
Number of Rings	5	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

95532636

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

137704392

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one (NP0217459)

MOL for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

3D MOL for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

3D SDF for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

3D-SDF for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

PDB for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

3D PDB for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

SMILES for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

INCHI for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

Structure for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)

3D Structure for NP0217459 ((2r,4'as,8'as)-4,6'-dihydroxy-7-(2-hydroxyethyl)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-6-one)