NP-MRD: Showing NP-Card for (1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one (NP0184233)

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Record Information

Version

2.0

Created at

2022-09-03 23:19:07 UTC

Updated at

2022-09-03 23:19:07 UTC

NP-MRD ID

NP0184233

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one

Description

Cryptosin belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. (1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one is found in Cryptolepis buchananii. (1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one was first documented in 1987 (PMID: 24248762). Based on a literature review a small amount of articles have been published on Cryptosin (PMID: 1965277) (PMID: 2174493) (PMID: 1980455) (PMID: 2545210).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042201192D          

 40 46  0  0  1  0            999 V2000
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  7 16  1  0  0  0  0
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 22 39  1  0  0  0  0
 28 39  1  0  0  0  0
 39 40  1  6  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309042201192D          

 40 46  0  0  1  0            999 V2000
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   -4.5924   -0.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9682   -1.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318   -0.1943    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0636    0.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    0.2912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6879    0.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561   -0.4847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6242   -1.1154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9045   -1.8914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3727   -2.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -2.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -2.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485   -1.4059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6083   -2.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0730   -1.3791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5794   -2.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040   -2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6843   -2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768   -3.0088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0329   -3.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501   -2.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024   -0.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195   -0.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682   -0.6299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0277    0.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  6  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
  7 16  1  0  0  0  0
  5 17  1  0  0  0  0
 18 17  1  1  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 22 21  1  6  0  0  0
 20 22  1  0  0  0  0
 23 22  1  6  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 30 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 22 39  1  0  0  0  0
 28 39  1  0  0  0  0
 39 40  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0184233

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]12[C@H](CC[C@]1(O)[C@]13O[C@H]1C[C@@H]1C[C@H](CC[C@]1(C)[C@H]3[C@@H](O)C2=O)O[C@H]1C[C@@H](O)[C@H](O)[C@@H](CO)O1)C1=CC(=O)OC1

> <INCHI_IDENTIFIER>
InChI=1S/C29H40O11/c1-26-5-3-15(38-21-10-17(31)22(33)18(11-30)39-21)8-14(26)9-19-29(40-19)24(26)23(34)25(35)27(2)16(4-6-28(27,29)36)13-7-20(32)37-12-13/h7,14-19,21-24,30-31,33-34,36H,3-6,8-12H2,1-2H3/t14-,15-,16+,17+,18+,19-,21+,22-,23+,24+,26-,27-,28+,29-/m0/s1

> <INCHI_KEY>
NRBYBABUHKEQNM-QCJAYSJESA-N

> <FORMULA>
C29H40O11

> <MOLECULAR_WEIGHT>
564.628

> <EXACT_MASS>
564.257062108

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
58.14399687171979

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3S,5S,7S,10S,11S,12R,14R,15R,18R)-7-{[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2,5-dihydrofuran-3-yl)-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadecan-13-one

> <JCHEM_LOGP>
-0.2162278903333345

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.571102472500698

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.089383966760335

> <JCHEM_PKA_STRONGEST_BASIC>
-2.980938176048693

> <JCHEM_POLAR_SURFACE_AREA>
175.51

> <JCHEM_REFRACTIVITY>
135.8553

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3S,5S,7S,10S,11S,12R,14R,15R,18R)-7-{[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadecan-13-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       2.039  -3.259   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.516  -1.811   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.523  -2.988   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.993  -2.717   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.516  -1.269   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.032  -0.998   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -4.025  -2.175   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.501  -3.624   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.494  -4.801   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.971  -6.249   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -6.010  -4.530   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -7.003  -5.707   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -6.533  -3.081   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.049  -2.810   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -8.573  -1.362   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -5.541  -1.904   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.523  -0.092   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.993  -0.363   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.985   0.815   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.501   0.544   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.017   0.273   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.025  -0.905   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.032  -2.082   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.555  -3.531   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.562  -4.708   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.071  -3.802   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.594  -5.250   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.064  -2.624   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.736  -4.010   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.603  -2.574   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.548  -3.790   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.087  -3.740   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.611  -5.188   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      12.090  -5.616   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       9.395  -6.134   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       8.120  -5.269   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.031  -1.095   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.756  -0.231   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.541  -1.176   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.652   0.360   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18   23                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13    7                                                       
CONECT   17    5   18                                                       
CONECT   18   17    2   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20   22                                                       
CONECT   22   21   20   23   39                                             
CONECT   23   22    2   24                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30   39                                             
CONECT   29   28                                                            
CONECT   30   28   31   37                                                  
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   31                                                       
CONECT   37   30   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   22   28   40                                             
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₀O₁₁

Average Mass

564.6280 Da

Monoisotopic Mass

564.25706 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@]12[C@H](CC[C@]1(O)[C@]13O[C@H]1C[C@@H]1C[C@H](CC[C@]1(C)[C@H]3[C@@H](O)C2=O)O[C@H]1C[C@@H](O)[C@H](O)[C@@H](CO)O1)C1=CC(=O)OC1

InChI Identifier

InChI=1S/C29H40O11/c1-26-5-3-15(38-21-10-17(31)22(33)18(11-30)39-21)8-14(26)9-19-29(40-19)24(26)23(34)25(35)27(2)16(4-6-28(27,29)36)13-7-20(32)37-12-13/h7,14-19,21-24,30-31,33-34,36H,3-6,8-12H2,1-2H3/t14-,15-,16+,17+,18+,19-,21+,22-,23+,24+,26-,27-,28+,29-/m0/s1

InChI Key

NRBYBABUHKEQNM-QCJAYSJESA-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
Cryptolepis buchananii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Cardenolide glycosides and derivatives

Alternative Parents

Substituents

Cardanolide-glycoside
Steroidal glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Oxepane
2-furanone
Monosaccharide
Oxane
Cyclic alcohol
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Secondary alcohol
Carboxylic acid ester
Ketone
Lactone
Carboxylic acid derivative
Organoheterocyclic compound
Acetal
Dialkyl ether
Oxirane
Ether
Oxacycle
Monocarboxylic acid or derivatives
Carbonyl group
Organic oxygen compound
Alcohol
Organooxygen compound
Hydrocarbon derivative
Primary alcohol
Organic oxide
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

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

19994312

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21126533

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Venkateswara RR, Dipak D, Banning JW, Vaidyanathan CS: Cryptosin induces backbone structural changes in cardiac Na+ and K+ dependent adenosinetriphosphatase. Biochem Int. 1990 Oct;22(2):287-94. [PubMed:1965277 ]
Rao VR, Banning JW: Interactions of cryptosin with mammalian cardiac dihydropyridine-specific calcium channels. Life Sci. 1990;47(18):1667-76. doi: 10.1016/0024-3205(90)90373-y. [PubMed:2174493 ]
Rao VR, Banning JW: Interactions of cryptosin with mammalian cardiac beta-adrenoceptors. Drug Chem Toxicol. 1990;13(2-3):173-94. doi: 10.3109/01480549009018119. [PubMed:1980455 ]
Rao VR, Dasgupta D, Vaidyanathan CS: Effect of cryptosin on Na+, K+-ATPase--a 31P NMR spectroscopic study. Biochem Pharmacol. 1989 Jun 15;38(12):2039-41. doi: 10.1016/0006-2952(89)90504-2. [PubMed:2545210 ]
Venkateswara R, Sankara Rao K, Vaidyanathan CS: Cryptosin - a new cardenolide in tissue culture and intact plants of Cryptolepis buchanani Roem. & Schult. Plant Cell Rep. 1987 Jul;6(4):291-3. doi: 10.1007/BF00272001. [PubMed:24248762 ]
LOTUS database [Link]

Showing NP-Card for (1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one (NP0184233)

MOL for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

3D MOL for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

3D SDF for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

3D-SDF for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

PDB for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

3D PDB for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

SMILES for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

INCHI for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

Structure for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)

3D Structure for NP0184233 ((1r,3s,5s,7s,10s,11s,12r,14r,15r,18r)-7-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12,18-dihydroxy-10,14-dimethyl-15-(5-oxo-2h-furan-3-yl)-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-13-one)