NP-MRD: Showing NP-Card for (1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate (NP0310704)

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Record Information

Version

2.0

Created at

2022-09-11 06:12:55 UTC

Updated at

2022-09-11 06:12:55 UTC

NP-MRD ID

NP0310704

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate

Description

14-O-Acetyl-9-deoxyglanduline belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12. (1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate is found in Consolida glandulosa. Based on a literature review very few articles have been published on 14-O-Acetyl-9-deoxyglanduline.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112208122D          

 38 44  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309112208122D          

 38 44  0  0  1  0            999 V2000
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    6.3538   -0.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1701   -2.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827    0.2111    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8634    0.0629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9574    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022   -0.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7878   -1.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8475   -1.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831   -0.3401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4373   -0.1147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3668   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156   -1.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1056   -0.2809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  6  5  1  1  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 13  1  6  0  0  0
  4 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31  2  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 12 34  1  0  0  0  0
  4 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0310704

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C(=O)O[C@@H]1C[C@]23[C@@H]4[C@@H]5C[C@]67CC(=C)[C@H]([C@@H](O)[C@@H]26)C(O)[C@]7(OC(C)=O)[C@H]3N5C[C@@]4(C)[C@@H]1OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H39NO8/c1-7-12(2)24(35)37-17-10-28-20-16-9-27-8-13(3)18(19(33)21(27)28)22(34)29(27,38-15(5)32)25(28)30(16)11-26(20,6)23(17)36-14(4)31/h12,16-23,25,33-34H,3,7-11H2,1-2,4-6H3/t12?,16-,17+,18+,19+,20+,21+,22?,23+,25-,26+,27+,28-,29-/m0/s1

> <INCHI_KEY>
QATQZHZBTQBUFQ-DGLCZNIRSA-N

> <FORMULA>
C29H39NO8

> <MOLECULAR_WEIGHT>
529.63

> <EXACT_MASS>
529.26756722

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
52.54540835422174

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,4S,5S,8S,9R,11R,14R,16S,17S,18S,19S)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0^{1,8}.0^{5,17}.0^{7,16}.0^{9,14}.0^{14,18}]nonadecan-3-yl 2-methylbutanoate

> <JCHEM_LOGP>
0.5145259003333323

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.641368065593014

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.498152023633757

> <JCHEM_PKA_STRONGEST_BASIC>
8.171265339699543

> <JCHEM_POLAR_SURFACE_AREA>
122.6

> <JCHEM_REFRACTIVITY>
132.0109

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,4S,5S,8S,9R,11R,14R,16S,17S,18S,19S)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0^{1,8}.0^{5,17}.0^{7,16}.0^{9,14}.0^{14,18}]nonadecan-3-yl 2-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.963   0.737   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.321   0.584   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.575   2.008   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.153   1.193   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.381   2.243   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.713   1.320   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.140   0.813   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.819  -0.718   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.185  -2.397   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.895  -1.979   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       5.278  -0.524   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       3.914  -0.947   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.990   0.363   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.969   0.968   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.391   0.237   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.779   1.109   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      11.193   0.452   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.010  -1.077   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      12.619   1.063   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.808   2.591   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.889   0.105   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.307   0.706   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.253  -1.329   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.343  -2.631   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.925  -2.836   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.860  -1.612   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      11.517  -4.257   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.328   0.394   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.612   0.118   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.787   2.046   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.377  -0.844   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.471  -1.971   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       1.582  -3.616   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.395  -0.635   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.816  -0.214   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -0.685  -1.210   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -0.589  -2.747   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -2.064  -0.524   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   28   34                                             
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8   13                                                  
CONECT    8    7    9   10   23                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11   13   34                                                  
CONECT   13   12    7   14   28                                             
CONECT   14   13   15                                                       
CONECT   15   14   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21                                                            
CONECT   23   15    8   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   13    4   29                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29    2   32                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   12    4   35                                             
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₉NO₈

Average Mass

529.6300 Da

Monoisotopic Mass

529.26757 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(C)C(=O)O[C@@H]1C[C@]23[C@@H]4[C@@H]5C[C@]67CC(=C)[C@H]([C@@H](O)[C@@H]26)C(O)[C@]7(OC(C)=O)[C@H]3N5C[C@@]4(C)[C@@H]1OC(C)=O

InChI Identifier

InChI=1S/C29H39NO8/c1-7-12(2)24(35)37-17-10-28-20-16-9-27-8-13(3)18(19(33)21(27)28)22(34)29(27,38-15(5)32)25(28)30(16)11-26(20,6)23(17)36-14(4)31/h12,16-23,25,33-34H,3,7-11H2,1-2,4-6H3/t12?,16-,17+,18+,19+,20+,21+,22?,23+,25-,26+,27+,28-,29-/m0/s1

InChI Key

QATQZHZBTQBUFQ-DGLCZNIRSA-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
Consolida glandulosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Atisane diterpenoids

Alternative Parents

Substituents

Atisane diterpenoid
Quinolizidine
Azaspirodecane
Alkaloid or derivatives
Tricarboxylic acid or derivatives
Isoindole or derivatives
Isoindoline
Indolizidine
Indole or derivatives
Fatty acid ester
Azepane
Fatty acyl
N-alkylpyrrolidine
Piperidine
Pyrrolidine
Cyclic alcohol
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Carboxylic acid ester
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Alcohol
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

C00024813

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

102066386

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,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate (NP0310704)

MOL for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

3D MOL for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

3D SDF for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

3D-SDF for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

PDB for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

3D PDB for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

SMILES for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

INCHI for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

Structure for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)

3D Structure for NP0310704 ((1s,3r,4s,5s,8s,9r,11r,14r,16s,17s,18s,19s)-4,9-bis(acetyloxy)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl 2-methylbutanoate)