NP-MRD: Showing NP-Card for (1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate (NP0223905)

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Record Information

Version

2.0

Created at

2022-09-06 02:07:45 UTC

Updated at

2022-09-06 02:07:45 UTC

NP-MRD ID

NP0223905

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate

Description

Elasine 16-acetate belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom. Based on a literature review very few articles have been published on Elasine 16-acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062204072D          

 38 44  0  0  1  0            999 V2000
   -1.5564    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309062204072D          

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    1.6696   -2.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796   -0.9223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9194   -1.6708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7020   -2.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096   -2.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445   -0.2565    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6273    0.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210    0.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733   -0.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9909    0.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3182   -1.1495    0.0000 C   0  0  2  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
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  3  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 14 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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 27  1  1  0  0  0
 18 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 14 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 38 33  1  1  0  0  0
  5 38  1  0  0  0  0
 12 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0223905

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@]22C[C@H](OC(C)=O)[C@H]5C[C@]3(O)[C@@H]2[C@H]5OC)[C@@H]14

> <INCHI_IDENTIFIER>
InChI=1S/C28H41NO9/c1-7-29-12-24(4)9-8-18(33-5)27-21(24)22(38-15(3)31)28(23(27)29)26(35-13-36-28)11-17(37-14(2)30)16-10-25(27,32)20(26)19(16)34-6/h16-23,32H,7-13H2,1-6H3/t16-,17+,18+,19+,20+,21-,22+,23+,24+,25+,26-,27-,28-/m1/s1

> <INCHI_KEY>
AOFDJQMSIGLVRO-NMJAWFAJSA-N

> <FORMULA>
C28H41NO9

> <MOLECULAR_WEIGHT>
535.634

> <EXACT_MASS>
535.278131904

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
56.01447477815496

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-yl acetate

> <JCHEM_LOGP>
-0.23163276066666671

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.841198881161787

> <JCHEM_PKA_STRONGEST_BASIC>
9.372795772916588

> <JCHEM_POLAR_SURFACE_AREA>
112.99000000000001

> <JCHEM_REFRACTIVITY>
130.85109999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-yl acetate

> <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      -2.905   2.176   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.411   1.534   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -0.292  -0.011   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -1.361  -1.337   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.714  -2.813   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.181  -3.521   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.240  -4.362   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.272  -4.789   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.237  -3.578   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       3.260  -5.312   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.128  -6.995   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.844  -1.976   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.263  -0.165   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.345   0.273   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.379   1.891   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.788   2.520   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.749   1.338   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.098  -0.127   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.702   0.074   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.859  -1.006   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.497  -0.948   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.564   0.210   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.104   1.680   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      11.067  -0.126   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.301  -2.547   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.725  -3.800   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.358  -2.730   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.117  -4.282   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.255  -1.722   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.450  -3.119   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.910  -4.164   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       8.418  -4.803   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.456  -0.479   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.171   0.341   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.839   0.203   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.497  -1.189   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -3.716   1.469   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       0.594  -2.146   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   13                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7   38                                             
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13   27   38                                             
CONECT   13   12    3   14                                                  
CONECT   14   13   15   18   33                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   14   19   29                                             
CONECT   19   18   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   20   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   12   28   29                                             
CONECT   28   27                                                            
CONECT   29   27   18   30                                                  
CONECT   30   29   25   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   14   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   33    5   12                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   88    0
END

View in JSmol

Synonyms

Value	Source
Elasine 16-acetic acid	Generator

Chemical Formula

C₂₈H₄₁NO₉

Average Mass

535.6340 Da

Monoisotopic Mass

535.27813 Da

IUPAC Name

(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docosan-21-yl acetate

Traditional Name

CAS Registry Number

Not Available

SMILES

CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@]22C[C@H](OC(C)=O)[C@H]5C[C@]3(O)[C@@H]2[C@H]5OC)[C@@H]14

InChI Identifier

InChI=1S/C28H41NO9/c1-7-29-12-24(4)9-8-18(33-5)27-21(24)22(38-15(3)31)28(23(27)29)26(35-13-36-28)11-17(37-14(2)30)16-10-25(27,32)20(26)19(16)34-6/h16-23,32H,7-13H2,1-6H3/t16-,17+,18+,19+,20+,21-,22+,23+,24+,25+,26-,27-,28-/m1/s1

InChI Key

AOFDJQMSIGLVRO-NMJAWFAJSA-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 aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Aconitane-type diterpenoid alkaloids

Alternative Parents

Substituents

Aconitane-type diterpenoid alkaloid
Quinolidine
Alkaloid or derivatives
Azepane
Dicarboxylic acid or derivatives
Piperidine
Meta-dioxolane
Tertiary alcohol
Cyclic alcohol
Amino acid or derivatives
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid ester
Azacycle
Organoheterocyclic compound
Acetal
Dialkyl ether
Ether
Oxacycle
Carboxylic acid derivative
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Alcohol
Organic oxygen compound
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	-0.23	ChemAxon
pKa (Strongest Acidic)	13.84	ChemAxon
pKa (Strongest Basic)	9.37	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	112.99 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	130.85 m³·mol⁻¹	ChemAxon
Polarizability	56.01 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

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

101662424

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate (NP0223905)

MOL for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

3D MOL for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

3D SDF for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

3D-SDF for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

PDB for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

3D PDB for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

SMILES for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

INCHI for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

Structure for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)

3D Structure for NP0223905 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-6-(acetyloxy)-14-ethyl-2-hydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate)