NP-MRD: Showing NP-Card for (1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate (NP0263725)

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Record Information

Version

2.0

Created at

2022-09-08 06:59:47 UTC

Updated at

2022-09-08 06:59:47 UTC

NP-MRD ID

NP0263725

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate

Description

Cis-Chrysanthenyl acetate belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. (1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate is found in Artemisia capillaris, Artemisia herba-alba and Zieria smithii. (1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate was first documented in 2014 (PMID: 24660484). Based on a literature review a significant number of articles have been published on cis-Chrysanthenyl acetate (PMID: 28467692) (PMID: 33094554) (PMID: 33970244) (PMID: 32155675) (PMID: 31651198) (PMID: 29770713).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 32 33  0  0  0  0  0  0  0  0999 V2000
    4.4129   -0.2712   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0932    0.2695    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1237    1.3449    0.9188 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8951   -0.3511   -0.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    0.2288    0.3456 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3072   -0.7494    0.9402 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3216    0.0352    1.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550    1.1220    0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2904    1.3659   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675    2.5447   -1.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2580    0.3815   -0.8166 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7917   -0.9911   -0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2660   -1.0496   -0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0659   -2.1464   -1.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1707    0.5442   -0.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336   -1.0014    0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3737   -0.7610   -1.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355    1.1516    0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223   -1.6165    1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1282   -0.6071    2.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8462    0.5187    2.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070    1.6690    1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7787    2.6263   -1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3046    2.4062   -2.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2634    3.4636   -0.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681    0.5268   -1.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6742   -0.1548   -1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8508   -1.1274    0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5381   -1.9245   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110   -2.4618   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7725   -3.0241   -1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2394   -1.9616   -2.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 11  5  1  0
 12  6  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  1
  6 19  1  1
  7 20  1  0
  7 21  1  0
  8 22  1  0
 10 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  6
 13 27  1  0
 13 28  1  0
 13 29  1  0
 14 30  1  0
 14 31  1  0
 14 32  1  0
M  END


  Mrv1652309082208592D          

 14 15  0  0  1  0            999 V2000
   -0.8724    1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099    0.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    0.8915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1901    0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1901   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -0.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5437    0.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957    0.5162    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  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11  9  1  1  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0263725

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1[C@H]2CC=C(C)[C@@H]1C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11?/m1/s1

> <INCHI_KEY>
UASZOTVHPVEMQR-JKIOLJMWSA-N

> <FORMULA>
C12H18O2

> <MOLECULAR_WEIGHT>
194.274

> <EXACT_MASS>
194.13067982

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
22.137630229908297

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate

> <JCHEM_LOGP>
2.0119757896666663

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.00460365241718

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
55.38929999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.629   2.998   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.399   1.664   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -3.939   1.664   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -1.629   0.330   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.089   0.330   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.681   1.664   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.221   1.664   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.991   0.330   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.221  -1.003   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.991  -2.337   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.681  -1.003   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.015   0.330   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.419  -0.303   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.419   0.964   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   11                                                  
CONECT    6    5    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    5   12                                                  
CONECT   12   11    6   13   14                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END

View in JSmol

Synonyms

Value	Source
cis-Chrysanthenyl acetic acid	Generator

Chemical Formula

C₁₂H₁₈O₂

Average Mass

194.2740 Da

Monoisotopic Mass

194.13068 Da

IUPAC Name

(1R,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate

Traditional Name

(1R,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1[C@H]2CC=C(C)[C@@H]1C2(C)C

InChI Identifier

InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11?/m1/s1

InChI Key

UASZOTVHPVEMQR-JKIOLJMWSA-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
Artemisia capillaris	LOTUS Database	35616633
Artemisia herba-alba	LOTUS Database	35616633
Zieria smithii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Substituents

Pinane monoterpenoid
Bicyclic monoterpenoid
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	2.01	ChemAxon
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	55.39 m³·mol⁻¹	ChemAxon
Polarizability	22.14 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

C00055775

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

6431301

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Chaib F, Allali H, Bennaceur M, Flamini G: Chemical Composition and Antimicrobial Activity of Essential Oils from the Aerial Parts of Asteriscus graveolens (Forssk.) Less. and Pulicaria incisa (Lam.) DC.: Two Asteraceae Herbs Growing Wild in the Hoggar. Chem Biodivers. 2017 Aug;14(8). doi: 10.1002/cbdv.201700092. Epub 2017 Jul 1. [PubMed:28467692 ]
Ben-Gera H, Bensimon Mashraki K, Sharma R, Shachter A, Chaimovitsh D, Gonda I, Nitzan N, Dudai N: Chemo-Geographic Variations in Wild Population of Asteriscus graveolens in Israel Based on Volatile Composition Analyses. Chem Biodivers. 2020 Nov;17(11):e2000311. doi: 10.1002/cbdv.202000311. Epub 2020 Oct 22. [PubMed:33094554 ]
Hashemi SMB, Khodaei D, Jahantab E, Lacroix M: Chemical composition, antimicrobial, antioxidant and cytotoxic activity of the essential oil from the leaves of Stachys pilifera Benth. FEMS Microbiol Lett. 2021 May 18;368(9):fnab050. doi: 10.1093/femsle/fnab050. [PubMed:33970244 ]
Sadeghi H, Mansourian M, Panahi Kokhdan E, Salehpour Z, Sadati I, Abbaszadeh-Goudarzi K, Asfaram A, Doustimotlagh AH: Antioxidant and protective effect of Stachys pilifera Benth against nephrotoxicity induced by cisplatin in rats. J Food Biochem. 2020 May;44(5):e13190. doi: 10.1111/jfbc.13190. Epub 2020 Mar 10. [PubMed:32155675 ]
Jahantab E, Morshedloo MR, Maggi F: Essential oil variability in Stachys pilifera Benth populations: a narrow endemic species of Iran. Nat Prod Res. 2021 Aug;35(15):2588-2592. doi: 10.1080/14786419.2019.1682580. Epub 2019 Oct 25. [PubMed:31651198 ]
Nishanbaev S, Bobakulov K, Okhundedaev B, Sasmakov S, Yusupova E, Azimova S, Abdullaev N: Component composition of the extracts and essential oils from the Alhagi canescens, growing in Uzbekistan and their antimicrobial activity. Nat Prod Res. 2019 Dec;33(23):3417-3420. doi: 10.1080/14786419.2018.1475384. Epub 2018 May 17. [PubMed:29770713 ]
Ghanbarian GA, Naseri M, Hatami A, Jafari E: Comparative essential oil composition of aerial parts of Tanacetum dumosum Boiss. from Southern Zagros, Iran. Nat Prod Res. 2015;29(2):197-200. doi: 10.1080/14786419.2014.971319. [PubMed:25370611 ]
Judzentiene A, Budiene J: Chemical Polymorphism of Essential Oils of Artemisia vulgaris Growing Wild in Lithuania. Chem Biodivers. 2018 Feb;15(2). doi: 10.1002/cbdv.201700257. Epub 2018 Jan 18. [PubMed:29164813 ]
Said ME, Bombarda I, Naubron JV, Vanloot P, Jean M, Cheriti A, Dupuy N, Roussel C: Isolation of the major chiral compounds from Bubonium graveolens essential oil by HPLC and absolute configuration determination by VCD. Chirality. 2017 Feb;29(2):70-79. doi: 10.1002/chir.22672. Epub 2016 Dec 26. [PubMed:28019704 ]
Aghraz A, Wanner J, Schmidt E, Aitdra L, Aitsidibrahim M, Tabanca N, Abbas A, Hassani L, Markouk M, Jirovetz L, Larhsini M: Chemical Composition, Antioxidant, Antimicrobial and Insecticidal Activities of Essential Oil from a Moroccan Endemic Plant: Bubonium imbricatum. Nat Prod Commun. 2016 Nov;11(11):1717-1720. [PubMed:30475515 ]
Judzentiene A, Garjonyte R: Compositional Variability and Toxic Activity of Mugwort (Artemisia vulgaris) Essential Oils. Nat Prod Commun. 2016 Sep;11(9):1353-1356. [PubMed:30807041 ]
Haouas D, Cioni PL, Flamini G, Ben Halima-Kamel M, Ben Hamouda MH: Variation of Chemical Composition in Flowers and Leaves Essential Oils Among Natural Population of Tunisian Glebionis coronaria (L.) Tzvelev (Asteraceae). Chem Biodivers. 2016 Oct;13(10):1251-1261. doi: 10.1002/cbdv.201600026. [PubMed:27451137 ]
Ciccarelli D, Giovanelli S, Pistelli L: Essential Oils from Anthemis maritima Flowers: Infraspecific Variability along the Adriatic Coast (Italy). Chem Biodivers. 2016 May;13(5):561-70. doi: 10.1002/cbdv.201500184. [PubMed:27114258 ]
Bader A, Cioni PL, De Tommasi N, Flamini G: Essential oil compositions of two populations of Salvia samuelssonii growing in different biogeographical regions of Jordan. Nat Prod Commun. 2014 Jan;9(1):141-3. [PubMed:24660484 ]
Obistioiu D, Cristina RT, Schmerold I, Chizzola R, Stolze K, Nichita I, Chiurciu V: Chemical characterization by GC-MS and in vitro activity against Candida albicans of volatile fractions prepared from Artemisia dracunculus, Artemisia abrotanum, Artemisia absinthium and Artemisia vulgaris. Chem Cent J. 2014 Jan 29;8(1):6. doi: 10.1186/1752-153X-8-6. [PubMed:24475951 ]
LOTUS database [Link]

Showing NP-Card for (1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate (NP0263725)

MOL for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

3D MOL for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

3D SDF for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

3D-SDF for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

PDB for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

3D PDB for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

SMILES for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

INCHI for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

Structure for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)

3D Structure for NP0263725 ((1r,5s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate)