NP-MRD: Showing NP-Card for 16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate (NP0328125)

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Record Information

Version

2.0

Created at

2022-09-12 11:18:47 UTC

Updated at

2022-09-12 11:18:47 UTC

NP-MRD ID

NP0328125

Secondary Accession Numbers

None

Natural Product Identification

Common Name

16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate

Description

16,18-Dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]Nonadecan-10-yl acetate belongs to the class of organic compounds known as hetisine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetisine skeleton, which is a heptacyclic compound with an additional N-C-6 bond as compared with the hetidine-type, and thus, is one of most complex entries in the atisane-class. 16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate is found in Delphinium nuttallianum. 16,18-Dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]Nonadecan-10-yl acetate is a very strong basic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171506412D          

 28 34  0  0  0  0            999 V2000
    4.5419    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083    3.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8751    1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340    1.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8610    2.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251    1.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0280    0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3818    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2382    1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039   -1.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209    0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6147   -0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5037   -0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762   -0.6013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458    0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9052    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585    0.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468    1.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3030    1.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935    2.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9307    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 23  1  0  0  0  0
 10 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 24  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  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
 18 28  1  0  0  0  0
M  END


  Mrv1533004171506412D          

 28 34  0  0  0  0            999 V2000
    4.5419    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083    3.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8751    1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340    1.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8610    2.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251    1.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0280    0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9299    0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3818    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2382    1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039   -1.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209    0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6147   -0.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5037   -0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762   -0.6013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458    0.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9052    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585    0.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468    1.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3030    1.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935    2.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9307    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 23  1  0  0  0  0
 10 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 24  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  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
 18 28  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0328125

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1C2C3N4CC5(C)CC(=O)CC33C5C4(O)CC22CC(=C)C1CC32O

> <INCHI_IDENTIFIER>
InChI=1S/C22H27NO5/c1-10-4-19-8-21(26)17-18(3)5-12(25)6-20(17)16(23(21)9-18)14(19)15(28-11(2)24)13(10)7-22(19,20)27/h13-17,26-27H,1,4-9H2,2-3H3

> <INCHI_KEY>
VOFHPANLWJZICP-UHFFFAOYSA-N

> <FORMULA>
C22H27NO5

> <MOLECULAR_WEIGHT>
385.46

> <EXACT_MASS>
385.188922973

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
40.35675333779619

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate

> <ALOGPS_LOGP>
0.01

> <JCHEM_LOGP>
-0.5430588556666667

> <ALOGPS_LOGS>
-1.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.950198880101269

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.893934074464607

> <JCHEM_PKA_STRONGEST_BASIC>
7.177022013357136

> <JCHEM_POLAR_SURFACE_AREA>
87.07

> <JCHEM_REFRACTIVITY>
98.0953

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       8.478   6.870   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.528   5.744   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      11.029   6.090   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       9.041   4.151   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.100   2.519   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.837   3.571   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.207   3.811   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.368   2.359   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.273   3.595   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       7.519   0.723   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.202   0.553   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.046   2.087   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.645   2.208   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.861  -0.674   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.384  -0.669   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.607  -2.352   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.146   0.679   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.620   0.454   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.147  -0.283   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.807  -1.092   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       4.436  -1.122   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       5.872   0.418   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.290   1.660   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.962   1.800   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.007   3.182   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.432   3.196   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.295   4.321   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.737   1.804   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   23                                                  
CONECT    6    5    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10   24                                             
CONECT    9    8                                                            
CONECT   10    8   11   14   23                                             
CONECT   11   10   12                                                       
CONECT   12   11    6   13                                                  
CONECT   13   12                                                            
CONECT   14   10   15                                                       
CONECT   15   14   16   17   21                                             
CONECT   16   15                                                            
CONECT   17   15   18   24                                                  
CONECT   18   17   19   20   28                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   15   22                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22    5   10                                                  
CONECT   24   22    8   17   25                                             
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   18                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   68    0
END

View in JSmol

Synonyms

Value	Source
16,18-Dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0,.0,.0,.0,.0,]nonadecan-10-yl acetic acid	Generator
16,18-Dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetic acid	Generator

Chemical Formula

C₂₂H₂₇NO₅

Average Mass

385.4600 Da

Monoisotopic Mass

385.18892 Da

IUPAC Name

16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate

Traditional Name

16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1C2C3N4CC5(C)CC(=O)CC33C5C4(O)CC22CC(=C)C1CC32O

InChI Identifier

InChI=1S/C22H27NO5/c1-10-4-19-8-21(26)17-18(3)5-12(25)6-20(17)16(23(21)9-18)14(19)15(28-11(2)24)13(10)7-22(19,20)27/h13-17,26-27H,1,4-9H2,2-3H3

InChI Key

VOFHPANLWJZICP-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Delphinium nuttallianum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hetisine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetisine skeleton, which is a heptacyclic compound with an additional N-C-6 bond as compared with the hetidine-type, and thus, is one of most complex entries in the atisane-class.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Hetisine-type diterpenoid alkaloids

Alternative Parents

Substituents

Hetisine-type diterpenoid alkaloid
Azaspirodecane
Isoindolone
Quinolizidine
Indole or derivatives
Indolizidine
Isoindoline
Isoindole or derivatives
Alkaloid or derivatives
Azepane
Piperidine
N-alkylpyrrolidine
Cyclic alcohol
Pyrrolidine
Tertiary alcohol
Cyclic ketone
Carboxylic acid ester
Hemiaminal
Ketone
Alkanolamine
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Organooxygen compound
Alcohol
Organonitrogen compound
Carbonyl group
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic nitrogen compound
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	0.01	ALOGPS
logP	-0.54	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	12.89	ChemAxon
pKa (Strongest Basic)	7.18	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	87.07 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	98.1 m³·mol⁻¹	ChemAxon
Polarizability	40.36 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

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 16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate (NP0328125)

MOL for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

3D MOL for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

3D SDF for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

3D-SDF for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

PDB for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

3D PDB for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

SMILES for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

INCHI for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

Structure for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)

3D Structure for NP0328125 (16,18-dihydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-10-yl acetate)