NP-MRD: Showing NP-Card for (1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde (NP0169556)

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Record Information

Version

2.0

Created at

2022-09-03 05:32:26 UTC

Updated at

2022-09-03 05:32:27 UTC

NP-MRD ID

NP0169556

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde

Description

(1'S,5'S,5aR,6S,6'R,7S,7'R,10'R,11'S)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-3,5a,7,8,9,9a-hexahydro-1H-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]Tridecane]-5a-carbaldehyde belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Based on a literature review very few articles have been published on (1'S,5'S,5aR,6S,6'R,7S,7'R,10'R,11'S)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-3,5a,7,8,9,9a-hexahydro-1H-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]Tridecane]-5a-carbaldehyde.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032207322D          

 33 38  0  0  1  0            999 V2000
    2.5184    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1849    3.2443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9392    3.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6057    3.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5178    2.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2492    1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4584    2.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0738    1.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070    1.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2063   -0.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0477    0.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.9377    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2972    1.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    1.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969    2.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.0696    1.5732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.8389    0.8805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.1808   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204    1.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4867    2.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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 23 32  1  0  0  0  0
 27 32  1  0  0  0  0
 30 33  1  0  0  0  0
 17 33  1  1  0  0  0
M  END

     RDKit          2D

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309032207322D          

 33 38  0  0  1  0            999 V2000
    2.5184    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1849    3.2443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9392    3.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 33  1  0  0  0  0
 17 33  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0169556

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CCC2[C@](C=O)(C=CC(=O)OC2(C)C)[C@]11C[C@@]2(C)[C@H](C)[C@@H]3[C@@H]4O[C@]2(O[C@@]4(C)OC3=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C25H32O8/c1-13-7-8-15-20(3,4)29-16(27)9-10-23(15,12-26)24(13)11-21(5)14(2)17-18-22(6,31-19(17)28)32-25(21,30-18)33-24/h9-10,12-15,17-18H,7-8,11H2,1-6H3/t13-,14+,15?,17+,18-,21-,22+,23+,24-,25+/m0/s1

> <INCHI_KEY>
NQBMUBGAOCZKBE-SOBNGFRLSA-N

> <FORMULA>
C25H32O8

> <MOLECULAR_WEIGHT>
460.523

> <EXACT_MASS>
460.20971799

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
20.02567433952027

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1'S,5'S,5aR,6S,6'R,7S,7'R,10'R,11'S)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-3,5a,7,8,9,9a-hexahydro-1H-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0^{1,5}.0^{7,11}]tridecane]-5a-carbaldehyde

> <ALOGPS_LOGP>
3.49

> <JCHEM_LOGP>
3.8408835763333347

> <ALOGPS_LOGS>
-4.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.125672144378711

> <JCHEM_POLAR_SURFACE_AREA>
97.36000000000001

> <JCHEM_REFRACTIVITY>
115.03260000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.48e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1'S,5'S,5aR,6S,6'R,7S,7'R,10'R,11'S)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0^{1,5}.0^{7,11}]tridecane]-5a-carbaldehyde

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       4.701   6.964   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.945   6.056   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.353   6.679   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.597   5.772   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.433   4.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.799   3.528   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.189   5.018   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.338   3.479   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.093   2.017   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.095   0.844   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.718  -0.564   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.556   0.893   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.634   2.127   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.025   3.617   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.155   2.346   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.619   2.465   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.781   4.525   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.443   3.028   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.863   2.937   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.658   1.618   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.061   1.610   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.803   0.260   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.566   1.644   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.174   1.068   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.337  -0.385   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -0.598   2.479   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       0.288   4.019   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.908   4.989   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.813   5.387   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.057   4.363   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.221   4.734   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.225   3.124   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       4.414   5.267   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   14                                                  
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    5   15   17                                             
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14    2   18   33                                             
CONECT   18   17   19                                                       
CONECT   19   18   20   21   30                                             
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   32                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29   32                                             
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   19   31   33                                             
CONECT   31   30   32                                                       
CONECT   32   31   23   27                                                  
CONECT   33   30   17                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₂O₈

Average Mass

460.5230 Da

Monoisotopic Mass

460.20972 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1CCC2[C@](C=O)(C=CC(=O)OC2(C)C)[C@]11C[C@@]2(C)[C@H](C)[C@@H]3[C@@H]4O[C@]2(O[C@@]4(C)OC3=O)O1

InChI Identifier

InChI=1S/C25H32O8/c1-13-7-8-15-20(3,4)29-16(27)9-10-23(15,12-26)24(13)11-21(5)14(2)17-18-22(6,31-19(17)28)32-25(21,30-18)33-24/h9-10,12-15,17-18H,7-8,11H2,1-6H3/t13-,14+,15?,17+,18-,21-,22+,23+,24-,25+/m0/s1

InChI Key

NQBMUBGAOCZKBE-SOBNGFRLSA-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 furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Furopyrans

Sub Class

Not Available

Direct Parent

Furopyrans

Alternative Parents

Substituents

Furopyran
Ketal
Carboxylic acid orthoester
Oxepane
Ortho ester
Dicarboxylic acid or derivatives
Pyran
Oxane
Gamma butyrolactone
Meta-dioxolane
Furan
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Oxolane
Carboxylic acid ester
Orthocarboxylic acid derivative
Lactone
Oxacycle
Carboxylic acid derivative
Acetal
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Organooxygen compound
Aldehyde
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	3.49	ALOGPS
logS	-4.3	ALOGPS

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

Not Available

METLIN ID

Not Available

PubChem Compound

101837580

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde (NP0169556)

MOL for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

3D MOL for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

3D SDF for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

3D-SDF for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

PDB for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

3D PDB for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

SMILES for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

INCHI for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

Structure for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)

3D Structure for NP0169556 ((1's,5's,5ar,6s,6'r,7s,7'r,10'r,11's)-1,1,5',6',7,10'-hexamethyl-3,8'-dioxo-7,8,9,9a-tetrahydro-2',9',12',13'-tetraoxaspiro[2-benzoxepine-6,3'-tetracyclo[8.2.1.0¹,⁵.0⁷,¹¹]tridecane]-5a-carbaldehyde)