NP-MRD: Showing NP-Card for (4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene (NP0303928)

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Record Information

Version

2.0

Created at

2022-09-10 18:40:40 UTC

Updated at

2022-09-10 18:40:40 UTC

NP-MRD ID

NP0303928

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene

Description

Olean-12-ene belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene is found in Polypodium formosanum. (4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene was first documented in 2016 (PMID: 27350550). Based on a literature review a significant number of articles have been published on Olean-12-ene (PMID: 31241824) (PMID: 34380340) (PMID: 28194155) (PMID: 27498717) (PMID: 35687940) (PMID: 34688822).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102220402D          

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M  END


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 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
 21 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 27  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 12  1  1  0  0  0
  6 29  1  0  0  0  0
 29 30  1  0  0  0  0
  2 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0303928

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H50/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h10,22-24H,9,11-20H2,1-8H3/t22-,23-,24+,27+,28-,29+,30+/m0/s1

> <INCHI_KEY>
ZTLIRKGRXLVPOF-GAXUHWGVSA-N

> <FORMULA>
C30H50

> <MOLECULAR_WEIGHT>
410.73

> <EXACT_MASS>
410.39125161

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
52.91416364749291

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4aR,6aS,6bR,8aS,12aS,12bR,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene

> <JCHEM_LOGP>
8.633951901333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
130.3918

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4aR,6aS,6bR,8aS,12aS,12bR,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.883  -6.610   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.564  -7.136   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.831  -5.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.206  -8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.564  -9.804   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.104  -9.804   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334 -11.137   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.874 -11.137   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.414 -11.137   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.184  -9.804   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.954 -11.137   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.414  -8.470   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.184  -7.136   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.724  -7.136   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.494  -8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.034  -8.470   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.264  -7.136   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.804  -7.136   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.344  -7.136   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.114  -8.470   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.344  -9.804   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.791 -10.330   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.076 -11.320   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.804  -9.804   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.034 -11.137   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.494 -11.137   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.724  -9.804   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.885 -11.335   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.874  -8.470   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.104  -7.136   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   30                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   29                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   27                                             
CONECT   11   10                                                            
CONECT   12   10   13   29                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   27                                                  
CONECT   16   15   17   18   24                                             
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                                                            
CONECT   24   21   16   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   15   10   28                                             
CONECT   28   27                                                            
CONECT   29   12    6   30                                                  
CONECT   30   29    2                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₀

Average Mass

410.7300 Da

Monoisotopic Mass

410.39125 Da

IUPAC Name

(4aR,6aS,6bR,8aS,12aS,12bR,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene

Traditional Name

(4aR,6aS,6bR,8aS,12aS,12bR,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene

CAS Registry Number

Not Available

SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

InChI Identifier

InChI=1S/C30H50/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h10,22-24H,9,11-20H2,1-8H3/t22-,23-,24+,27+,28-,29+,30+/m0/s1

InChI Key

ZTLIRKGRXLVPOF-GAXUHWGVSA-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
Polypodium formosanum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Polycyclic hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
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	8.63	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	130.39 m³·mol⁻¹	ChemAxon
Polarizability	52.91 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

C00019525

Chemspider ID

9233848

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11058690

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Elsbaey M, Sallam A, El-Metwally M, Nagata M, Tanaka C, Shimizu K, Miyamoto T: Melanogenesis Inhibitors from the Endophytic Fungus Aspergillus amstelodami. Chem Biodivers. 2019 Aug;16(8):e1900237. doi: 10.1002/cbdv.201900237. Epub 2019 Jul 16. [PubMed:31241824 ]
Gamal G, Abo-El-Seoud KA, Attia G: Triterpenoids from the aerial parts of Anabasis articulata (Forssk) Moq: gastroprotective effect in vivo with in silico studies, cytotoxic and antimicrobial activities. Nat Prod Res. 2021 Aug 12:1-9. doi: 10.1080/14786419.2021.1961769. [PubMed:34380340 ]
Khedr AI, Ibrahim SR, Mohamed GA, Ahmed HE, Ahmad AS, Ramadan MA, El-Baky AE, Yamada K, Ross SA: New ursane triterpenoids from Ficus pandurata and their binding affinity for human cannabinoid and opioid receptors. Arch Pharm Res. 2016 Jul;39(7):897-911. doi: 10.1007/s12272-016-0784-y. Epub 2016 Jun 27. [PubMed:27350550 ]
Yasumoto S, Seki H, Shimizu Y, Fukushima EO, Muranaka T: Functional Characterization of CYP716 Family P450 Enzymes in Triterpenoid Biosynthesis in Tomato. Front Plant Sci. 2017 Jan 30;8:21. doi: 10.3389/fpls.2017.00021. eCollection 2017. [PubMed:28194155 ]
Ponnapalli MG, Dangeti N, Sura MB, Kothapalli H, Akella VS, Shaik JB: Self gelating isoracemosol A, new racemosaceramide A, and racemosol E from Barringtonia racemosa. Nat Prod Res. 2017 Jan;31(1):63-69. doi: 10.1080/14786419.2016.1212033. Epub 2016 Aug 8. [PubMed:27498717 ]
Lopez-Huerta FA, Ramirez-Apan MT, Mendez-Cuesta CA, Nieto-Camacho A, Hernandez-Ortega S, Almeida-Aguirre EKP, Cerbon MA, Delgado G: Synthesis, biological evaluation, molecular docking studies and In-silico ADMET evaluation of pyrazines of pentacyclic triterpenes. Bioorg Chem. 2022 Aug;125:105924. doi: 10.1016/j.bioorg.2022.105924. Epub 2022 Jun 2. [PubMed:35687940 ]
Novillo F, Velasco-Barrios E, Nieto-Camacho A, Lopez-Huerta FA, Mendez Cuesta CA, Ramirez-Apan MT, Chavez MI, Martinez EM, Hernandez-Delgado T, Espinosa-Garcia FJ, Delgado G: 3beta-Palmitoyloxy-olean-12-ene analogs from Sapium lateriflorum (Euphorbiaceae): Their cytotoxic and anti-inflammatory properties and docking studies. Fitoterapia. 2021 Nov;155:105067. doi: 10.1016/j.fitote.2021.105067. Epub 2021 Oct 22. [PubMed:34688822 ]
Zhou X, Shen P, Wang W, Zhou J, Raj R, Du Z, Xu S, Wang W, Yu B, Zhang J: Derivatization of Soyasapogenol A through Microbial Transformation for Potential Anti-inflammatory Food Supplements. J Agric Food Chem. 2021 Jun 23;69(24):6791-6798. doi: 10.1021/acs.jafc.1c01569. Epub 2021 Jun 8. [PubMed:34101468 ]
Panja SK, Bag BG: Flower- and Grass-like Self-Assemblies of an Oleanane-Type Triterpenoid Erythrodiol: Application in the Removal of Toxic Dye from Water. ACS Omega. 2020 Nov 17;5(47):30488-30494. doi: 10.1021/acsomega.0c04291. eCollection 2020 Dec 1. [PubMed:33283097 ]
Feng B, Zhao C, Li J, Yu J, Zhang Y, Zhang X, Tian T, Zhao L: The Novel Synthetic Triterpene Methyl 3beta-O-[4-(2-Aminoethylamino)-4-oxo-butyryl]olean-12-ene-28-oate Inhibits Breast Tumor Cell Growth in Vitro and in Vivo. Chem Pharm Bull (Tokyo). 2020;68(10):962-970. doi: 10.1248/cpb.c20-00353. [PubMed:32999148 ]
Shen P, Zhang J, Zhu Y, Wang W, Yu B, Wang W: Microbial transformation of glycyrrhetinic acid derivatives by Bacillus subtilis ATCC 6633 and Bacillus megaterium CGMCC 1.1741. Bioorg Med Chem. 2020 Jun 1;28(11):115465. doi: 10.1016/j.bmc.2020.115465. Epub 2020 Mar 29. [PubMed:32299661 ]
Zhang D, Fu Y, Yang J, Li XN, San MM, Oo TN, Wang Y, Yang X: Triterpenoids and Their Glycosides from Glinus Oppositifolius with Antifungal Activities against Microsporum Gypseum and Trichophyton Rubrum. Molecules. 2019 Jun 12;24(12):2206. doi: 10.3390/molecules24122206. [PubMed:31212847 ]
Rosa Martha PG, Susana Gabriela EA: Ursane derivatives isolated from leaves of Hylocereus undatus inhibit glycation at multiple stages. Chin J Nat Med. 2018 Nov;16(11):856-865. doi: 10.1016/S1875-5364(18)30127-4. [PubMed:30502767 ]
Di TM, Yang SL, Du FY, Zhao L, Xia T, Zhang XF: Cytotoxic and Hypoglycemic Activity of Triterpenoid Saponins from Camellia oleifera Abel. Seed Pomace. Molecules. 2017 Sep 21;22(10):1562. doi: 10.3390/molecules22101562. [PubMed:28934101 ]
Wu ZF, Meng FC, Cao LJ, Jiang CH, Zhao MG, Shang XL, Fang SZ, Ye WC, Zhang QW, Zhang J, Yin ZQ: Triterpenoids from Cyclocarya paliurus and their inhibitory effect on the secretion of apoliprotein B48 in Caco-2 cells. Phytochemistry. 2017 Oct;142:76-84. doi: 10.1016/j.phytochem.2017.06.015. Epub 2017 Jul 6. [PubMed:28688991 ]
Wang L, Wesemann S, Krenn L, Ladurner A, Heiss EH, Dirsch VM, Atanasov AG: Erythrodiol, an Olive Oil Constituent, Increases the Half-Life of ABCA1 and Enhances Cholesterol Efflux from THP-1-Derived Macrophages. Front Pharmacol. 2017 Jun 13;8:375. doi: 10.3389/fphar.2017.00375. eCollection 2017. [PubMed:28659806 ]
Yan TL, Bai LF, Zhu HL, Zhang WM, Lv PC: Synthesis and Biological Evaluation of Glycyrrhetic Acid Derivatives as Potential VEGFR2 Inhibitors. ChemMedChem. 2017 Jul 6;12(13):1087-1096. doi: 10.1002/cmdc.201700271. Epub 2017 Jun 27. [PubMed:28599090 ]
Reyes CP, Jimenez IA, Bazzocchi IL: Pentacyclic Triterpenoids from Maytenus cuzcoina. Nat Prod Commun. 2017 May;12(5):675-678. [PubMed:30496673 ]
Moridi Farimani M, Abbas-Mohammadi M: Two new polyhydroxylated triterpenoids from Salvia urmiensis and their cytotoxic activity. Nat Prod Res. 2016 Dec;30(23):2648-2654. doi: 10.1080/14786419.2016.1138299. Epub 2016 Feb 1. [PubMed:30919695 ]
LOTUS database [Link]

Showing NP-Card for (4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene (NP0303928)

MOL for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

3D MOL for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

3D SDF for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

3D-SDF for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

PDB for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

3D PDB for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

SMILES for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

INCHI for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

Structure for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)

3D Structure for NP0303928 ((4ar,6as,6br,8as,12as,12br,14br)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene)