NP-MRD: Showing NP-Card for (1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate (NP0183709)

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Record Information

Version

2.0

Created at

2022-09-03 22:40:03 UTC

Updated at

2022-09-03 22:40:03 UTC

NP-MRD ID

NP0183709

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate

Description

CHEMBL2386307 belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. (1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate is found in Turraea pubescens and Turraea wakefieldii. Based on a literature review very few articles have been published on CHEMBL2386307.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042200402D          

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M  END

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M  END


  Mrv1652309042200402D          

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    6.3454    2.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1424    3.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8401    3.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4744    3.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1686    2.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8723    0.8752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3830    0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5665    0.1089    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0772   -0.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.0094    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2916   -0.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4976   -0.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4653    0.3531    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7254   -0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.6386    0.0000 C   0  0  1  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  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  2  0  0  0  0
 20 29  1  0  0  0  0
 15 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 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
  6 36  1  0  0  0  0
 36 37  1  1  0  0  0
 38 36  1  1  0  0  0
 33 38  1  0  0  0  0
 13 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0183709

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](CC=C12)C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C31H42O7/c1-7-24(33)38-22-14-23(37-17(2)32)31(6)21-10-12-28(3)19(18-11-13-35-15-18)8-9-20(28)30(21,5)27(34)25-26(31)29(22,4)16-36-25/h9,11,13,15,19,21-23,25-27,34H,7-8,10,12,14,16H2,1-6H3/t19-,21-,22+,23-,25+,26-,27+,28-,29+,30-,31-/m0/s1

> <INCHI_KEY>
WYMOHLOJGOGUOX-AIGIPMLOSA-N

> <FORMULA>
C31H42O7

> <MOLECULAR_WEIGHT>
526.67

> <EXACT_MASS>
526.293053692

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
57.63394059421464

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-16-yl propanoate

> <JCHEM_LOGP>
3.565430868666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.677434833906439

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7861236681882025

> <JCHEM_POLAR_SURFACE_AREA>
95.20000000000002

> <JCHEM_REFRACTIVITY>
139.93390000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-16-yl propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.860  -2.457   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.599  -0.940   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.154  -0.407   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.029  -1.391   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       0.106   1.111   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.551   1.644   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.812   3.162   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.257   3.695   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.518   5.212   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.334   6.197   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.889   5.664   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.595   7.715   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.441   2.710   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.912   4.176   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.275   2.843   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.846   4.273   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.370   4.494   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.323   3.285   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.040   4.648   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.752   1.855   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.936   0.870   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.239   1.691   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.860   3.184   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.845   4.368   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.466   5.861   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.768   6.682   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      13.952   5.697   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      13.381   4.267   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.228   1.634   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.182   0.424   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.657   0.203   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       7.611  -1.006   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       5.133  -0.017   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.278  -1.298   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.796  -0.880   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.735   0.659   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.354  -0.022   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.180   1.192   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   36                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    8   14   15   38                                             
CONECT   14   13                                                            
CONECT   15   13   16   29                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   23                                             
CONECT   19   18                                                            
CONECT   20   18   21   29                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18   24                                                  
CONECT   24   23   25   28                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   24                                                       
CONECT   29   20   15   30   31                                             
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35    6   37   38                                             
CONECT   37   36                                                            
CONECT   38   36   33   13                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₂O₇

Average Mass

526.6700 Da

Monoisotopic Mass

526.29305 Da

IUPAC Name

(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-16-yl propanoate

Traditional Name

(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-16-yl propanoate

CAS Registry Number

Not Available

SMILES

CCC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](CC=C12)C1=COC=C1

InChI Identifier

InChI=1S/C31H42O7/c1-7-24(33)38-22-14-23(37-17(2)32)31(6)21-10-12-28(3)19(18-11-13-35-15-18)8-9-20(28)30(21,5)27(34)25-26(31)29(22,4)16-36-25/h9,11,13,15,19,21-23,25-27,34H,7-8,10,12,14,16H2,1-6H3/t19-,21-,22+,23-,25+,26-,27+,28-,29+,30-,31-/m0/s1

InChI Key

WYMOHLOJGOGUOX-AIGIPMLOSA-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
Turraea pubescens	LOTUS Database	35616633
Turraea wakefieldii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Limonoids

Alternative Parents

Substituents

Limonoid skeleton
17-furanylsteroid skeleton
Steroid ester
Steroid
Naphthofuran
Dicarboxylic acid or derivatives
Cyclic alcohol
Furan
Heteroaromatic compound
Tetrahydrofuran
Carboxylic acid ester
Secondary alcohol
Ether
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Alcohol
Organic oxide
Organic oxygen compound
Carbonyl group
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	3.57	ChemAxon
pKa (Strongest Acidic)	13.68	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	95.2 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	139.93 m³·mol⁻¹	ChemAxon
Polarizability	57.63 Å³	ChemAxon
Number of Rings	6	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

9927545

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11752842

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate (NP0183709)

MOL for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

3D MOL for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

3D SDF for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

3D-SDF for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

PDB for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

3D PDB for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

SMILES for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

INCHI for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

Structure for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)

3D Structure for NP0183709 ((1r,2r,5s,6r,10r,11s,12r,15r,16r,18s,19r)-18-(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-16-yl propanoate)