NP-MRD: Showing NP-Card for 19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate (NP0296695)

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Record Information

Version

2.0

Created at

2022-09-10 06:25:54 UTC

Updated at

2022-09-10 06:25:55 UTC

NP-MRD ID

NP0296695

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate

Description

19-Benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]Henicos-20-en-2-yl acetate belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. 19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate is found in Xylaria hypoxylon. 19-Benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]Henicos-20-en-2-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201504032D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004201504032D          

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    4.7631    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3142    4.1342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1837    4.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5045    5.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6816    3.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2735    2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7838    2.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0900    2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6004    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4124    1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2963    2.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913    0.6459    0.0000 O   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
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 26  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
  2 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0296695

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(C3OC3CC(C)C(=O)C(C)(O)C3OC3C2OC(C)=O)C2OC12C

> <INCHI_IDENTIFIER>
InChI=1S/C30H37NO8/c1-13-11-18-21(37-18)20-24-29(5,39-24)14(2)19-17(12-16-9-7-6-8-10-16)31-27(34)30(19,20)26(36-15(3)32)22-25(38-22)28(4,35)23(13)33/h6-10,13-14,17-22,24-26,35H,11-12H2,1-5H3,(H,31,34)

> <INCHI_KEY>
DMPLSVXMELJNKE-UHFFFAOYSA-N

> <FORMULA>
C30H37NO8

> <MOLECULAR_WEIGHT>
539.625

> <EXACT_MASS>
539.251917155

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
55.98123084345001

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19-benzyl-6-hydroxy-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicosan-2-yl acetate

> <ALOGPS_LOGP>
2.63

> <JCHEM_LOGP>
1.9426677449999976

> <ALOGPS_LOGS>
-4.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.062119801581158

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.227722385654271

> <JCHEM_PKA_STRONGEST_BASIC>
-0.26380338177434426

> <JCHEM_POLAR_SURFACE_AREA>
130.29000000000002

> <JCHEM_REFRACTIVITY>
136.16510000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.42e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19-benzyl-6-hydroxy-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicosan-2-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0      10.670   0.593   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.093   2.217   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.108   1.034   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.678   1.605   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.398   2.462   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       7.779   3.142   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.795   4.510   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.271   4.290   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.747   4.070   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.319   5.500   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.766   6.016   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.890   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.889   8.193   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.414   7.150   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.271   8.430   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.635   9.932   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.724  11.058   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.300  12.539   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.371  13.646   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.865  13.273   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.289  11.792   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.218  10.685   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       8.753   8.011   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       8.463   6.733   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      10.100   6.259   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       7.367   5.940   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.891   6.160   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.920   7.717   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      11.543   7.920   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      12.142   9.339   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      12.472   6.692   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.844   4.950   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.796   3.740   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      11.368   5.170   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.321   3.960   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.837   3.363   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      13.620   5.058   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      11.749   2.530   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      12.864   1.206   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                                                  
CONECT    5    4    6                                                       
CONECT    6    5    4    7                                                  
CONECT    7    6    8   26                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8   10                                                       
CONECT   10    9    8   11   12                                             
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   26                                                  
CONECT   15   14   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   17                                                       
CONECT   23   15   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24    7   14   27                                             
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   27   33   34                                                  
CONECT   33   32   34                                                       
CONECT   34   33   32   35                                                  
CONECT   35   34   36   37   38                                             
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   35    2   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   90    0
END

View in JSmol

Synonyms

Value	Source
19-Benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0,.0,.0,.0,]henicos-20-en-2-yl acetic acid	Generator
19-Benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetic acid	Generator

Chemical Formula

C₃₀H₃₇NO₈

Average Mass

539.6250 Da

Monoisotopic Mass

539.25192 Da

IUPAC Name

19-benzyl-6-hydroxy-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicosan-2-yl acetate

Traditional Name

19-benzyl-6-hydroxy-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicosan-2-yl acetate

CAS Registry Number

Not Available

SMILES

CC1C2C(CC3=CC=CC=C3)NC(=O)C22C(C3OC3CC(C)C(=O)C(C)(O)C3OC3C2OC(C)=O)C2OC12C

InChI Identifier

InChI=1S/C30H37NO8/c1-13-11-18-21(37-18)20-24-29(5,39-24)14(2)19-17(12-16-9-7-6-8-10-16)31-27(34)30(19,20)26(36-15(3)32)22-25(38-22)28(4,35)23(13)33/h6-10,13-14,17-22,24-26,35H,11-12H2,1-5H3,(H,31,34)

InChI Key

DMPLSVXMELJNKE-UHFFFAOYSA-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
Xylaria hypoxylon	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoindoles and derivatives

Sub Class

Isoindolines

Direct Parent

Isoindolones

Alternative Parents

Substituents

Isoindolone
Oxepane
Acyloin
Monocyclic benzene moiety
Benzenoid
2-pyrrolidone
Pyrrolidone
Tertiary alcohol
Pyrrolidine
Carboxamide group
Carboxylic acid ester
Ketone
Lactam
Cyclic ketone
Secondary carboxylic acid amide
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Azacycle
Monocarboxylic acid or derivatives
Alcohol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organopnictogen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen 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
logP	2.63	ALOGPS
logP	1.94	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	12.23	ChemAxon
pKa (Strongest Basic)	-0.26	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	130.29 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	136.17 m³·mol⁻¹	ChemAxon
Polarizability	55.98 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	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate (NP0296695)

MOL for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

3D MOL for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

3D SDF for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

3D-SDF for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

PDB for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

3D PDB for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

SMILES for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

INCHI for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

Structure for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)

3D Structure for NP0296695 (19-benzyl-6,21-dihydroxy-6,8,16,17-tetramethyl-7-oxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.0¹,¹⁸.0³,⁵.0¹⁰,¹².0¹⁴,¹⁶]henicos-20-en-2-yl acetate)