NP-MRD: Showing NP-Card for 13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate (NP0223614)

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Record Information

Version

2.0

Created at

2022-09-06 01:45:40 UTC

Updated at

2022-09-06 01:45:40 UTC

NP-MRD ID

NP0223614

Secondary Accession Numbers

None

Natural Product Identification

Common Name

13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate

Description

2,6,10-Trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]Hexadecan-10-yl acetate belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate is found in Briareum asbestinum and Cladiella pachyclados. 2,6,10-Trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]Hexadecan-10-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004241502482D          

 26 29  0  0  0  0            999 V2000
    3.4227   -3.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -2.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033   -3.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705   -2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -1.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183   -0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3806   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7810    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    0.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651    1.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9191    1.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415    1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378   -0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9104   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049    0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5346   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302    0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3442   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5724   -1.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0647   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9815   -2.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1253   -1.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1020   -1.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2328   -1.5141    0.0000 C   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
  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 16 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 25  1  0  0  0  0
 24 26  1  0  0  0  0
  4 26  1  0  0  0  0
 13 26  1  0  0  0  0
M  END


  Mrv1533004241502482D          

 26 29  0  0  0  0            999 V2000
    3.4227   -3.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -2.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033   -3.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705   -2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133   -1.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183   -0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3806   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7810    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    0.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651    1.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9191    1.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6415    1.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378   -0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9104   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049    0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5346   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302    0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3442   -0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5724   -1.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108   -1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0647   -1.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9815   -2.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1253   -1.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1020   -1.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2328   -1.5141    0.0000 C   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
  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 16 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 25  1  0  0  0  0
 24 26  1  0  0  0  0
  4 26  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0223614

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1CCC(C)(OC(C)=O)C2C3CC4(C)CCCC(C)(O4)C(O3)C12

> <INCHI_IDENTIFIER>
InChI=1S/C22H36O4/c1-13(2)15-8-11-21(5,25-14(3)23)18-16-12-20(4)9-7-10-22(6,26-20)19(24-16)17(15)18/h13,15-19H,7-12H2,1-6H3

> <INCHI_KEY>
XBXWRLRZRQRZHE-UHFFFAOYSA-N

> <FORMULA>
C22H36O4

> <MOLECULAR_WEIGHT>
364.526

> <EXACT_MASS>
364.261359639

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
41.84904059140236

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,6,10-trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate

> <ALOGPS_LOGP>
3.89

> <JCHEM_LOGP>
3.572898153666667

> <ALOGPS_LOGS>
-5.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9067595398469144

> <JCHEM_POLAR_SURFACE_AREA>
44.760000000000005

> <JCHEM_REFRACTIVITY>
99.9942

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.83e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       6.389  -5.886   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.976  -5.274   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.739  -6.193   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.798  -3.745   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.385  -3.133   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.208  -1.604   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.444  -0.685   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.325   0.373   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.291   0.601   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.601   1.978   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.449   3.263   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       3.064   2.069   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.857  -1.297   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.299  -0.733   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.783   0.044   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.331  -0.571   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.883   0.867   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.843  -1.131   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.268  -2.689   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.034  -3.702   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.454  -3.322   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.299  -4.854   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       9.921  -1.874   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.701  -3.382   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       7.657  -2.190   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.034  -2.826   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   26                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   13                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    7   14   26                                                  
CONECT   14   13   15   25                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18   23                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21   16                                                       
CONECT   24   21   25   26                                                  
CONECT   25   24   14                                                       
CONECT   26   24    4   13                                                  
MASTER        0    0    0    0    0    0    0    0   26    0   58    0
END

View in JSmol

Synonyms

Value	Source
2,6,10-Trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1,.0,]hexadecan-10-yl acetic acid	Generator
2,6,10-Trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetic acid	Generator

Chemical Formula

C₂₂H₃₆O₄

Average Mass

364.5260 Da

Monoisotopic Mass

364.26136 Da

IUPAC Name

2,6,10-trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate

Traditional Name

13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate

CAS Registry Number

Not Available

SMILES

CC(C)C1CCC(C)(OC(C)=O)C2C3CC4(C)CCCC(C)(O4)C(O3)C12

InChI Identifier

InChI=1S/C22H36O4/c1-13(2)15-8-11-21(5,25-14(3)23)18-16-12-20(4)9-7-10-22(6,26-20)19(24-16)17(15)18/h13,15-19H,7-12H2,1-6H3

InChI Key

XBXWRLRZRQRZHE-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
Briareum asbestinum	LOTUS Database	35616633
Cladiella pachyclados	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
1,4-dioxepane
Dioxepane
Oxane
Tetrahydrofuran
Carboxylic acid ester
Carboxylic acid derivative
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Organooxygen 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	3.89	ALOGPS
logP	3.57	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	44.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	99.99 m³·mol⁻¹	ChemAxon
Polarizability	41.85 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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 13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate (NP0223614)

MOL for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

3D MOL for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

3D SDF for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

3D-SDF for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

PDB for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

3D PDB for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

SMILES for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

INCHI for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

Structure for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)

3D Structure for NP0223614 (13-isopropyl-2,6,10-trimethyl-15,16-dioxatetracyclo[6.6.1.1²,⁶.0⁹,¹⁴]hexadecan-10-yl acetate)