NP-MRD: Showing NP-Card for (1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde (NP0237828)

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Record Information

Version

2.0

Created at

2022-09-06 21:04:53 UTC

Updated at

2022-09-06 21:04:53 UTC

NP-MRD ID

NP0237828

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde

Description

2Alpha,3beta-[Oxycarbonyl[(2S)-3-hydroxy-5beta-methyltetrahydrofuran-3beta,2beta-diyl]oxy]-14-hydroxy-19-oxo-5alpha-carda-20(22)-enolide belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative. (1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde is found in Asclepias curassavica. Based on a literature review very few articles have been published on 2alpha,3beta-[Oxycarbonyl[(2S)-3-hydroxy-5beta-methyltetrahydrofuran-3beta,2beta-diyl]oxy]-14-hydroxy-19-oxo-5alpha-carda-20(22)-enolide.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062223042D          

 38 44  0  0  1  0            999 V2000
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M  END

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M  END


  Mrv1652309062223042D          

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    8.9418    2.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6442    1.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    0.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3949   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7407   -1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0605   -1.2108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9107   -2.0221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8522   -1.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839   -1.3854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5195   -1.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002   -1.2919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0668   -1.6697    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  1  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 17 32  1  0  0  0  0
 21 32  1  0  0  0  0
 32 33  1  1  0  0  0
 14 34  1  0  0  0  0
 35 34  1  1  0  0  0
  9 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
  4 37  1  0  0  0  0
 37 38  1  6  0  0  0
  2 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0237828

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1C[C@@]2(O)[C@@H](O1)O[C@@H]1C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@H](CC[C@]45O)C4=CC(=O)OC4)[C@]3(C[C@H]1OC2=O)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H38O9/c1-15-11-28(33)24(32)37-22-12-27(14-30)17(10-21(22)38-25(28)36-15)3-4-20-19(27)5-7-26(2)18(6-8-29(20,26)34)16-9-23(31)35-13-16/h9,14-15,17-22,25,33-34H,3-8,10-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1

> <INCHI_KEY>
VVJSEPMKQSGCHB-OLEQQPCLSA-N

> <FORMULA>
C29H38O9

> <MOLECULAR_WEIGHT>
530.614

> <EXACT_MASS>
530.251582804

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
55.67717687272896

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,5S,7R,9R,12R,14R,15S,18R,19R,22S,23R)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2,5-dihydrofuran-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0^{3,12}.0^{5,9}.0^{15,23}.0^{18,22}]pentacosane-14-carbaldehyde

> <JCHEM_LOGP>
1.9928328526666657

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.637697638841269

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.18248385508877

> <JCHEM_PKA_STRONGEST_BASIC>
0.2690305179189153

> <JCHEM_POLAR_SURFACE_AREA>
128.59

> <JCHEM_REFRACTIVITY>
132.23609999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,5S,7R,9R,12R,14R,15S,18R,19R,22S,23R)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0^{3,12}.0^{5,9}.0^{15,23}.0^{18,22}]pentacosane-14-carbaldehyde

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.622  -2.280   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.898  -2.033   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.591  -0.658   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.113  -0.892   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.598   0.560   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.147   0.250   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.567   1.676   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       5.684   0.153   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       6.566  -1.109   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.063  -0.749   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.124  -1.865   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.561  -0.388   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.500   0.728   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       8.688  -3.342   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.749  -4.458   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.246  -4.098   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.682  -2.621   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.621  -1.504   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.058  -0.028   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.555   0.333   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.616  -0.783   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.204   0.640   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.155  -0.742   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.027   0.528   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      15.512   1.979   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.733   2.917   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      16.691   4.457   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      18.003   2.046   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      17.566   0.569   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.670  -2.193   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.449  -3.132   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.180  -2.260   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      12.900  -3.775   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       7.191  -3.702   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.130  -2.586   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       4.703  -3.166   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       3.360  -2.412   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.991  -3.117   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   38                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6   37                                             
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   35                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14   18                                             
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   34                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   32                                                  
CONECT   18   17   11   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23   32                                             
CONECT   22   21                                                            
CONECT   23   21   24   30                                                  
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   24                                                       
CONECT   30   23   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   17   21   33                                             
CONECT   33   32                                                            
CONECT   34   14   35                                                       
CONECT   35   34    9   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36    4   38                                                  
CONECT   38   37    2                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   88    0
END

View in JSmol

Synonyms

Value	Source
2a,3b-[Oxycarbonyl[(2S)-3-hydroxy-5b-methyltetrahydrofuran-3b,2b-diyl]oxy]-14-hydroxy-19-oxo-5a-carda-20(22)-enolide	Generator
2Α,3β-[oxycarbonyl[(2S)-3-hydroxy-5β-methyltetrahydrofuran-3β,2β-diyl]oxy]-14-hydroxy-19-oxo-5α-carda-20(22)-enolide	Generator

Chemical Formula

C₂₉H₃₈O₉

Average Mass

530.6140 Da

Monoisotopic Mass

530.25158 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H]1C[C@@]2(O)[C@@H](O1)O[C@@H]1C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@H](CC[C@]45O)C4=CC(=O)OC4)[C@]3(C[C@H]1OC2=O)C=O

InChI Identifier

InChI=1S/C29H38O9/c1-15-11-28(33)24(32)37-22-12-27(14-30)17(10-21(22)38-25(28)36-15)3-4-20-19(27)5-7-26(2)18(6-8-29(20,26)34)16-9-23(31)35-13-16/h9,14-15,17-22,25,33-34H,3-8,10-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1

InChI Key

VVJSEPMKQSGCHB-OLEQQPCLSA-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
Asclepias curassavica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Cardenolides and derivatives

Alternative Parents

Substituents

Cardanolide-skeleton
19-oxosteroid
14-hydroxysteroid
Hydroxysteroid
Oxosteroid
1,4-dioxepane
Dioxepane
2-furanone
Dicarboxylic acid or derivatives
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Dihydrofuran
Cyclic alcohol
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Acetal
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organooxygen compound
Aldehyde
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

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

102408526

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde (NP0237828)

MOL for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

3D MOL for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

3D SDF for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

3D-SDF for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

PDB for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

3D PDB for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

SMILES for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

INCHI for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

Structure for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)

3D Structure for NP0237828 ((1s,3r,5s,7r,9r,12r,14r,15s,18r,19r,22s,23r)-9,22-dihydroxy-7,18-dimethyl-10-oxo-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,⁹.0¹⁵,²³.0¹⁸,²²]pentacosane-14-carbaldehyde)