NP-MRD: Showing NP-Card for (1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione (NP0330967)

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Record Information

Version

2.0

Created at

2022-09-12 16:50:02 UTC

Updated at

2022-09-12 16:50:02 UTC

NP-MRD ID

NP0330967

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Description

(1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione is found in Picrodendron baccatum. Based on a literature review very few articles have been published on (1'S,2S,3'R,4E,4'S,8'R,9'S,10'S)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-10'-methoxy-1'-methyl-8'-(propan-2-yl)-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]Undecan]-7'(11')-ene-5,6'-dione.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309122218502D          

 31 34  0  0  1  0            999 V2000
    6.5726   -0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7845   -0.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2077    1.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252    2.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533    0.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    0.9403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7236    1.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485    1.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0244    2.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    0.1162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0859   -0.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459   -0.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1308   -0.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   -0.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -0.9099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967    0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922    0.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006    1.3848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8561    2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135    1.9644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0220    2.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349    3.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180    1.7458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4309    2.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8096    0.9476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0046    1.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2098    0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006   -0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806    0.6172    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  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END


  Mrv1652309122218502D          

 31 34  0  0  1  0            999 V2000
    6.5726   -0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7845   -0.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2077    1.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252    2.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533    0.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    0.9403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7236    1.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485    1.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0244    2.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    0.1162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0859   -0.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459   -0.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1308   -0.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   -0.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -0.9099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967    0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922    0.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006    1.3848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8561    2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135    1.9644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0220    2.7627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349    3.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180    1.7458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4309    2.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8096    0.9476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0046    1.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2098    0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006   -0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806    0.6172    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  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0330967

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1[C@H](O)[C@@](O)(C(C)C)C2=C3[C@H](OC2=O)[C@@H](O)[C@]2(C\C(=C(\CO)OC)C(=O)O2)[C@]13C

> <INCHI_IDENTIFIER>
InChI=1S/C21H28O10/c1-8(2)21(27)12-11-13(30-18(12)26)14(23)20(19(11,3)16(29-5)15(21)24)6-9(17(25)31-20)10(7-22)28-4/h8,13-16,22-24,27H,6-7H2,1-5H3/b10-9+/t13-,14+,15-,16+,19-,20+,21+/m0/s1

> <INCHI_KEY>
XMAGTDSEMQPGBK-VIEKZOIDSA-N

> <FORMULA>
C21H28O10

> <MOLECULAR_WEIGHT>
440.445

> <EXACT_MASS>
440.168247102

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
43.13115587516755

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1'S,2S,3'R,4E,4'S,8'R,9'S,10'S)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-10'-methoxy-1'-methyl-8'-(propan-2-yl)-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0^{4,11}]undecan]-7'(11')-ene-5,6'-dione

> <JCHEM_LOGP>
-1.3642219373333329

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.991311087120803

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.361442319619663

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0810532655158402

> <JCHEM_POLAR_SURFACE_AREA>
151.98

> <JCHEM_REFRACTIVITY>
104.29409999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1'S,2S,3'R,4E,4'S,8'R,9'S,10'S)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0^{4,11}]undecan]-7'(11')-ene-5,6'-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      12.269  -0.625   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.798  -0.169   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      10.457   1.333   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.588   2.379   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      11.247   3.881   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.986   1.789   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.753   0.867   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.495   1.755   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.951   3.226   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.491   3.247   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.379   4.505   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.424   0.217   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.627  -0.745   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.939  -0.191   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.978  -1.394   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.536  -0.852   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.250  -1.699   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.607   0.687   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.092   1.095   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.481   2.585   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.331   3.869   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.385   3.667   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.774   5.157   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.678   6.239   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.900   3.259   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.804   4.341   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.511   1.769   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.009   2.106   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       0.392   0.711   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.748  -0.787   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.084   1.152   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    3    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   12   20                                             
CONECT    9    8   10                                                       
CONECT   10    9    6   11                                                  
CONECT   11   10                                                            
CONECT   12    8   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   27                                                  
CONECT   19   18   14   20                                                  
CONECT   20   19    8   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   18   28   29                                             
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₂₈O₁₀

Average Mass

440.4450 Da

Monoisotopic Mass

440.16825 Da

IUPAC Name

(1'S,2S,3'R,4E,4'S,8'R,9'S,10'S)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-10'-methoxy-1'-methyl-8'-(propan-2-yl)-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0^{4,11}]undecan]-7'(11')-ene-5,6'-dione

Traditional Name

(1'S,2S,3'R,4E,4'S,8'R,9'S,10'S)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0^{4,11}]undecan]-7'(11')-ene-5,6'-dione

CAS Registry Number

Not Available

SMILES

CO[C@@H]1[C@H](O)[C@@](O)(C(C)C)C2=C3[C@H](OC2=O)[C@@H](O)[C@]2(C\C(=C(\CO)OC)C(=O)O2)[C@]13C

InChI Identifier

InChI=1S/C21H28O10/c1-8(2)21(27)12-11-13(30-18(12)26)14(23)20(19(11,3)16(29-5)15(21)24)6-9(17(25)31-20)10(7-22)28-4/h8,13-16,22-24,27H,6-7H2,1-5H3/b10-9+/t13-,14+,15-,16+,19-,20+,21+/m0/s1

InChI Key

XMAGTDSEMQPGBK-VIEKZOIDSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Picrodendron baccatum	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	-1.4	ChemAxon
pKa (Strongest Acidic)	12.36	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	151.98 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	104.29 m³·mol⁻¹	ChemAxon
Polarizability	43.13 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

8247474

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10071934

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,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione (NP0330967)

MOL for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

3D MOL for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

3D SDF for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

3D-SDF for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

PDB for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

3D PDB for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

SMILES for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

INCHI for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

Structure for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)

3D Structure for NP0330967 ((1's,2s,3'r,4e,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-(2-hydroxy-1-methoxyethylidene)-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione)