NP-MRD: Showing NP-Card for (1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one (NP0310202)

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Record Information

Version

2.0

Created at

2022-09-11 05:21:25 UTC

Updated at

2022-09-11 05:21:26 UTC

NP-MRD ID

NP0310202

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one

Description

Dehydrocancentrine A belongs to the class of organic compounds known as dibenzoxepines. Dibenzoxepines are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring. (1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one is found in Dicentra canadensis. Based on a literature review very few articles have been published on Dehydrocancentrine A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112207212D          

 45 54  0  0  1  0            999 V2000
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 17 45  1  0  0  0  0
M  END

     RDKit          2D

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M  END


  Mrv1652309112207212D          

 45 54  0  0  1  0            999 V2000
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    5.2011    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5383    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    1.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8812    0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1593    2.0083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2541    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3818    0.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    0.0497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9961    0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6781    0.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5626    1.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0951    2.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885    3.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0281    3.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9423    2.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1987    1.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0624    1.3141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9557    0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946   -0.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3728   -0.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538   -1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    2.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6795    2.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3770    2.8041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313    3.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097    4.2314    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
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  2  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 25  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 26 39  1  0  0  0  0
 39 40  1  0  0  0  0
 36 41  1  0  0  0  0
 23 41  1  0  0  0  0
 41 42  1  6  0  0  0
 34 42  1  0  0  0  0
 23 43  1  1  0  0  0
 19 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 17 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0310202

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C[C@H]3N(C)CC[C@]45[C@H](OC1=C24)[C@]1(C=C35)N2CCC3=C4C2=C(C1=O)C1=CC=C(OC)C(O)=C1OC4=C(OC)C=C3

> <INCHI_IDENTIFIER>
InChI=1S/C36H32N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,16,21,34,39H,11-15H2,1-4H3/t21-,34+,35-,36-/m1/s1

> <INCHI_KEY>
XSQONQWAGZOPLX-IOWOITARSA-N

> <FORMULA>
C36H32N2O7

> <MOLECULAR_WEIGHT>
604.659

> <EXACT_MASS>
604.220951378

> <ALOGPS_LOGP>
4.31

> <ALOGPS_LOGS>
-4.19

> <ALOGPS_SOLUBILITY>
3.89e-02 g/l

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      17.312   2.637   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      16.082   1.711   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      14.664   2.313   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.434   1.387   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.017   1.989   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.830   3.517   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.060   4.444   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.477   3.842   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      15.707   4.768   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      13.102   5.983   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      11.925   6.976   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.660   8.116   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      14.200   8.115   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      14.971   9.448   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.828   9.412   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.289   9.340   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.583   7.971   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.415   6.675   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.709   5.307   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.338   3.901   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.051   2.903   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.111   1.365   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.764   3.749   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.941   2.267   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.313   1.576   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.247   0.093   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.726   0.083   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.133   1.484   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.591   1.684   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.050   3.130   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.044   4.341   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.472   5.771   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -0.052   5.990   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.626   4.148   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.104   2.703   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.716   2.453   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.384   1.397   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.643  -0.229   0.000  0.00  0.00           C+0
HETATM   39  N   UNK     0       6.296  -0.964   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0       6.074  -2.488   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.220   3.961   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       5.002   4.934   0.000  0.00  0.00           O+0
HETATM   43  N   UNK     0       8.170   5.234   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0       7.338   6.530   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.045   7.899   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   20                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   45                                                  
CONECT   18   17   11   19                                                  
CONECT   19   18   20   43                                                  
CONECT   20   19    6   21                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   41   43                                             
CONECT   24   23   25                                                       
CONECT   25   24   26   36                                                  
CONECT   26   25   27   39                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   35                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   42                                                  
CONECT   35   34   28   36                                                  
CONECT   36   35   25   37   41                                             
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   26   40                                                  
CONECT   40   39                                                            
CONECT   41   36   23   42                                                  
CONECT   42   41   34                                                       
CONECT   43   23   19   44                                                  
CONECT   44   43   45                                                       
CONECT   45   44   17                                                       
MASTER        0    0    0    0    0    0    0    0   45    0  108    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₂N₂O₇

Average Mass

604.6590 Da

Monoisotopic Mass

604.22095 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C[C@H]3N(C)CC[C@]45[C@H](OC1=C24)[C@]1(C=C35)N2CCC3=C4C2=C(C1=O)C1=CC=C(OC)C(O)=C1OC4=C(OC)C=C3

InChI Identifier

InChI=1S/C36H32N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,16,21,34,39H,11-15H2,1-4H3/t21-,34+,35-,36-/m1/s1

InChI Key

XSQONQWAGZOPLX-IOWOITARSA-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
Dicentra canadensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dibenzoxepines. Dibenzoxepines are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzoxepines

Sub Class

Dibenzoxepines

Direct Parent

Dibenzoxepines

Alternative Parents

Substituents

Dibenzoxepine
Diaryl ether
Tetrahydroisoquinoline
Tetralin
Coumaran
Anisole
Phenol ether
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Phenol
Aralkylamine
Piperidine
Benzenoid
Vinylogous amide
Pyrroline
Ketone
Tertiary amine
Tertiary aliphatic amine
Azacycle
Oxacycle
Ether
Enamine
Amine
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen 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

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

102147112

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

MOL for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)

3D MOL for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)

3D SDF for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)

3D-SDF for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)

PDB for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)

3D PDB for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)

SMILES for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)

INCHI for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)

Structure for NP0310202 ((1r,4s,5s,13r)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosan]-1'(19'),2,7(17),7'(20'),8,8',10,10',13',15',17'-undecaen-2'-one)