NP-MRD: Showing NP-Card for (1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate (NP0178133)

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Record Information

Version

2.0

Created at

2022-09-03 16:04:27 UTC

Updated at

2022-09-03 16:04:27 UTC

NP-MRD ID

NP0178133

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]Docos-14-en-21-yl acetate belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. (1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate is found in Delphinium barbeyi. Based on a literature review very few articles have been published on (1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]Docos-14-en-21-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032218042D          

 34 40  0  0  1  0            999 V2000
    4.7371    2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406    1.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1498   -0.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 34 31  1  6  0  0  0
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  5 34  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309032218042D          

 34 40  0  0  1  0            999 V2000
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 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 10  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 19  1  1  0  0  0
  9 20  1  0  0  0  0
 21 20  1  1  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 16 26  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 30 29  1  6  0  0  0
  3 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 34 31  1  6  0  0  0
 27 34  1  0  0  0  0
  5 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0178133

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1[C@@H]2C[C@]3(O)[C@H]1[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC(C)=O)[C@H]2[C@]33[C@@H]1N=C[C@]2(C)CC[C@@H]3OC

> <INCHI_IDENTIFIER>
InChI=1S/C25H35NO8/c1-12(27)34-19-18-21(2)7-6-15(30-4)24(18)20(26-10-21)25(19)23(32-11-33-25)9-14(29-3)13-8-22(24,28)17(23)16(13)31-5/h10,13-20,28H,6-9,11H2,1-5H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1

> <INCHI_KEY>
NIGGLAWRQQYJEM-ZVAWHEGMSA-N

> <FORMULA>
C25H35NO8

> <MOLECULAR_WEIGHT>
477.554

> <EXACT_MASS>
477.236267091

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
49.16599075387089

> <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)-2-hydroxy-4,6,19-trimethoxy-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}]docos-14-en-21-yl acetate

> <JCHEM_LOGP>
-0.5450010739999983

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.685037879040006

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.821958219560255

> <JCHEM_PKA_STRONGEST_BASIC>
5.237459043438543

> <JCHEM_POLAR_SURFACE_AREA>
105.04

> <JCHEM_REFRACTIVITY>
115.94629999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-2-hydroxy-4,6,19-trimethoxy-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}]docos-14-en-21-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       8.843   4.498   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.916   3.213   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.281   3.242   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.430   1.902   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.738   1.747   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.585   0.379   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.670  -0.917   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.146  -0.389   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.003   1.202   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.118   1.902   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.678   1.052   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.577  -0.700   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.201  -1.392   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.864  -1.546   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -0.011   3.761   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.668   3.918   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.482   5.606   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.869   2.176   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -0.163   1.015   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       0.790   1.332   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.924   3.161   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.735   2.472   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.051   0.433   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -2.651  -0.555   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.464   3.616   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.900   2.556   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.462   4.182   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.361   5.362   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.786   5.258   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.545   4.739   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.557   4.598   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       4.699   6.280   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       5.400   7.767   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.537   3.254   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   30                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9   34                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    5   10   20                                             
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   10   16   21                                                  
CONECT   16   15   17   18   26                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19    9   21                                                  
CONECT   21   20   15   22   27                                             
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26                                                       
CONECT   26   25   16                                                       
CONECT   27   21   28   29   34                                             
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29    3   31                                                  
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   27    5                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   80    0
END

View in JSmol

Synonyms

Value	Source
(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-2-Hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1,.0,.0,.0,.0,]docos-14-en-21-yl acetic acid	Generator

Chemical Formula

C₂₅H₃₅NO₈

Average Mass

477.5540 Da

Monoisotopic Mass

477.23627 Da

IUPAC Name

(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-2-hydroxy-4,6,19-trimethoxy-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}]docos-14-en-21-yl acetate

Traditional Name

(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-2-hydroxy-4,6,19-trimethoxy-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}]docos-14-en-21-yl acetate

CAS Registry Number

Not Available

SMILES

CO[C@H]1[C@@H]2C[C@]3(O)[C@H]1[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC(C)=O)[C@H]2[C@]33[C@@H]1N=C[C@]2(C)CC[C@@H]3OC

InChI Identifier

InChI=1S/C25H35NO8/c1-12(27)34-19-18-21(2)7-6-15(30-4)24(18)20(26-10-21)25(19)23(32-11-33-25)9-14(29-3)13-8-22(24,28)17(23)16(13)31-5/h10,13-20,28H,6-9,11H2,1-5H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1

InChI Key

NIGGLAWRQQYJEM-ZVAWHEGMSA-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
Delphinium barbeyi	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azepines

Sub Class

Not Available

Direct Parent

Azepines

Alternative Parents

Substituents

Azepine
Tetrahydropyridine
Meta-dioxolane
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Acetal
Carboxylic acid derivative
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Oxacycle
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Azacycle
Alcohol
Imine
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
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
logP	-0.55	ChemAxon
pKa (Strongest Acidic)	13.82	ChemAxon
pKa (Strongest Basic)	5.24	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	105.04 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	115.95 m³·mol⁻¹	ChemAxon
Polarizability	49.17 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

162883605

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)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate (NP0178133)

MOL for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

3D MOL for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

3D SDF for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

3D-SDF for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

PDB for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

3D PDB for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

SMILES for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

INCHI for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

Structure for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)

3D Structure for NP0178133 ((1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-en-21-yl acetate)