NP-MRD: Showing NP-Card for 1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one (NP0299020)

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Record Information

Version

2.0

Created at

2022-09-10 10:36:57 UTC

Updated at

2022-09-10 10:36:58 UTC

NP-MRD ID

NP0299020

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one

Description

1-{6,7'-Dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]Dodecane]-1',6',8'-trien-12'-yl}propan-2-one belongs to the class of organic compounds known as isocoumarans. Isocoumarans are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring. Based on a literature review very few articles have been published on 1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]Dodecane]-1',6',8'-trien-12'-yl}propan-2-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309102212362D          

 31 35  0  0  0  0            999 V2000
    5.4374   -2.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5186   -1.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702   -1.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293   -0.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4647    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6437    1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1547    1.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3348    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457    2.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    0.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929    0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3128    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121   -0.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259   -0.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730   -1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8058   -0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446   -0.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7733   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0413    0.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    1.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6232    1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3789    0.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4702    0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    0.7520    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 22 30  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END


  Mrv1652309102212362D          

 31 35  0  0  0  0            999 V2000
    5.4374   -2.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5186   -1.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702   -1.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9293   -0.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    0.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4647    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6437    1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1547    1.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3348    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457    2.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    0.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929    0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3128    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121   -0.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259   -0.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0730   -1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6528   -1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -1.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8058   -0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -0.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446   -0.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7733   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0413    0.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    1.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6232    1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3789    0.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4702    0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    0.7520    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 22 30  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0299020

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC2C(C)(C)C(O)CCC2(C)C11CC2=C(O)C=C3COC(CC(C)=O)C3=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C26H36O5/c1-14-6-7-20-24(3,4)21(29)8-9-25(20,5)26(14)12-17-18(28)11-16-13-30-19(10-15(2)27)22(16)23(17)31-26/h11,14,19-21,28-29H,6-10,12-13H2,1-5H3

> <INCHI_KEY>
ONDQSZKGEZTPGB-UHFFFAOYSA-N

> <FORMULA>
C26H36O5

> <MOLECULAR_WEIGHT>
428.569

> <EXACT_MASS>
428.256274259

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
47.949901077030184

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0^{2,6}]dodecane]-1',6',8'-trien-12'-yl}propan-2-one

> <JCHEM_LOGP>
4.182961831

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.80838379385658

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.447475285118177

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8349532610799141

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
118.67139999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0^{2,6}]dodecane]-1',6',8'-trien-12'-yl}propan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      10.150  -4.496   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.301  -2.964   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      11.704  -2.329   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       9.050  -2.066   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.201  -0.534   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      10.530   0.245   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      10.201   1.749   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.668   1.900   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.755   3.141   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.225   2.970   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.312   4.211   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.607   1.560   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.520   0.319   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.051   0.490   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.623  -0.932   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.155  -0.465   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.146   1.075   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.326  -1.996   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.736  -2.614   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.085  -2.909   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.675  -2.291   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.504  -0.761   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.093  -0.143   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.270  -1.639   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.443  -0.045   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.077   1.388   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.488   2.005   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.163   2.301   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.574   1.683   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.744   0.152   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.642   1.404   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   14                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   17                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13    8    5                                                  
CONECT   15   13   16                                                       
CONECT   16   15   17   18   30                                             
CONECT   17   16   12                                                       
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   30                                                  
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   22   16   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

C₂₆H₃₆O₅

Average Mass

428.5690 Da

Monoisotopic Mass

428.25627 Da

IUPAC Name

1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0^{2,6}]dodecane]-1',6',8'-trien-12'-yl}propan-2-one

Traditional Name

1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0^{2,6}]dodecane]-1',6',8'-trien-12'-yl}propan-2-one

CAS Registry Number

Not Available

SMILES

CC1CCC2C(C)(C)C(O)CCC2(C)C11CC2=C(O)C=C3COC(CC(C)=O)C3=C2O1

InChI Identifier

InChI=1S/C26H36O5/c1-14-6-7-20-24(3,4)21(29)8-9-25(20,5)26(14)12-17-18(28)11-16-13-30-19(10-15(2)27)22(16)23(17)31-26/h11,14,19-21,28-29H,6-10,12-13H2,1-5H3

InChI Key

ONDQSZKGEZTPGB-UHFFFAOYSA-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 isocoumarans. Isocoumarans are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isocoumarans

Sub Class

Not Available

Direct Parent

Isocoumarans

Alternative Parents

Substituents

Isocoumaran
Coumaran
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Cyclic alcohol
Secondary alcohol
Ketone
Oxacycle
Ether
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	4.18	ChemAxon
pKa (Strongest Acidic)	9.45	ChemAxon
pKa (Strongest Basic)	-0.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.99 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	118.67 m³·mol⁻¹	ChemAxon
Polarizability	47.95 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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

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METLIN ID

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PubChem Compound

138989987

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References

General References

LOTUS database [Link]

Showing NP-Card for 1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one (NP0299020)

MOL for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

3D MOL for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

3D SDF for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

3D-SDF for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

PDB for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

3D PDB for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

SMILES for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

INCHI for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

Structure for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)

3D Structure for NP0299020 (1-{6,7'-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl}propan-2-one)