NP-MRD: Showing NP-Card for (1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione (NP0281575)

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Record Information

Version

2.0

Created at

2022-09-09 08:00:21 UTC

Updated at

2022-09-09 08:00:21 UTC

NP-MRD ID

NP0281575

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione

Description

7-Oxogedunin belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. (1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione is found in Carapa guianensis, Carapa procera, Cedrela odorata, Ekebergia capensis, Guarea guidonia, Pseudocedrela kotschyi, Swietenia macrophylla, Swietenia mahagoni, Xylocarpus granatum and Xylocarpus moluccensis. (1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione was first documented in 2018 (PMID: 30305560). Based on a literature review a significant number of articles have been published on 7-Oxogedunin (PMID: 34089255) (PMID: 33605461) (PMID: 32277328) (PMID: 34290967) (PMID: 31434473) (PMID: 31035366).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092210002D          

 32 37  0  0  1  0            999 V2000
    5.4731    1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309092210002D          

 32 37  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
NP0281575

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]2(C)C=CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1

> <INCHI_KEY>
PMISPNORJONCHB-OASIGRBWSA-N

> <FORMULA>
C26H30O6

> <MOLECULAR_WEIGHT>
438.52

> <EXACT_MASS>
438.204238686

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
46.02525741292761

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,4S,7R,8S,11R,12S,17R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-ene-5,15,19-trione

> <JCHEM_LOGP>
4.422386608333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.723603216395855

> <JCHEM_PKA_STRONGEST_BASIC>
-2.869965789888815

> <JCHEM_POLAR_SURFACE_AREA>
86.11000000000001

> <JCHEM_REFRACTIVITY>
115.01920000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,4S,7R,8S,11R,12S,17R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-ene-5,15,19-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      10.216   3.016   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.895   2.225   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.346   3.664   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.903   1.061   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      11.415   1.352   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.399  -0.394   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.887  -0.685   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.879   0.479   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.375  -0.976   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.383   1.934   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.375   3.098   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.862   2.807   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.854   3.971   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.358   1.352   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.227   2.886   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.366   0.188   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.862  -1.267   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.350  -1.558   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.342  -0.394   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.838  -1.849   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.830  -0.685   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.326  -2.140   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.206  -3.403   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.277  -4.632   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.178  -4.128   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -1.148  -2.588   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -0.179   0.479   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.326   1.934   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -0.683   3.098   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.838   2.225   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       3.350   2.516   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.846   1.061   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   10                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   16                                             
CONECT    9    8                                                            
CONECT   10    8    2   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   32                                             
CONECT   15   14                                                            
CONECT   16   14    8   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21   32                                             
CONECT   20   19                                                            
CONECT   21   19   22   27                                                  
CONECT   22   21   23   26                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   22                                                       
CONECT   27   21   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30   32                                                       
CONECT   32   31   30   19   14                                             
MASTER        0    0    0    0    0    0    0    0   32    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₀O₆

Average Mass

438.5200 Da

Monoisotopic Mass

438.20424 Da

IUPAC Name

(1R,2R,4S,7R,8S,11R,12S,17R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-ene-5,15,19-trione

Traditional Name

(1R,2R,4S,7R,8S,11R,12S,17R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-ene-5,15,19-trione

CAS Registry Number

Not Available

SMILES

CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]2(C)C=CC1=O

InChI Identifier

InChI=1S/C26H30O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1

InChI Key

PMISPNORJONCHB-OASIGRBWSA-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
Carapa guianensis	LOTUS Database	35616633
Carapa procera	LOTUS Database	35616633
Cedrela odorata	LOTUS Database	35616633
Ekebergia capensis	LOTUS Database	35616633
Guarea guidonia	LOTUS Database	35616633
Pseudocedrela kotschyi	LOTUS Database	35616633
Swietenia macrophylla	LOTUS Database	35616633
Swietenia mahagoni	LOTUS Database	35616633
Xylocarpus granatum	LOTUS Database	35616633
Xylocarpus moluccensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
Naphthalene
1,4-dioxepane
Delta valerolactone
Cyclohexenone
Dioxepane
Delta_valerolactone
Pyran
Oxane
Heteroaromatic compound
Furan
Carboxylic acid ester
Ketone
Cyclic ketone
Lactone
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Organooxygen compound
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	4.42	ChemAxon
pKa (Strongest Acidic)	18.72	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	86.11 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	115.02 m³·mol⁻¹	ChemAxon
Polarizability	46.03 Å³	ChemAxon
Number of Rings	6	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

C00034777

Chemspider ID

10218442

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21594780

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kenfack Tsobnang P, Tsamo Tontsa A, Mbiangue YA, Kemda Nangmo P, Kenfack Tiofack S, Mkounga P, Nkengfack Ephrem A, Tonle Kenfack I: Contributions of secondary alcohol-ketone O-H...O=C and furan-acetate Csp(2)-H...OOC synthons to the supramolecular packings of two bioactive molecules. Acta Crystallogr C Struct Chem. 2021 Jun 1;77(Pt 6):312-320. doi: 10.1107/S2053229621005209. Epub 2021 May 27. [PubMed:34089255 ]
Morikawa T, Nagatomo A, Kitazawa K, Muraoka O, Kikuchi T, Yamada T, Tanaka R, Ninomiya K: Collagen Synthesis-Promoting Effects of Andiroba Oil and its Limonoid Constituents in Normal Human Dermal Fibroblasts. J Oleo Sci. 2018;67(10):1271-1277. doi: 10.5650/jos.ess18143. [PubMed:30305560 ]
Duan JY, Wang YJ, Chen W, Zhao YQ, Bai ZH, He LL, Zhang CP: Limonoids isolated from fruits of Swietenia macrophylla king enhance glucose consumption in insulin-resistant HepG2 cells via activating PPARgamma. J Food Biochem. 2021 Apr;45(4):e13668. doi: 10.1111/jfbc.13668. Epub 2021 Feb 19. [PubMed:33605461 ]
Steverding D, Sidjui LS, Ferreira ER, Ngameni B, Folefoc GN, Mahiou-Leddet V, Ollivier E, Stephenson GR, Storr TE, Tyler KM: Trypanocidal and leishmanicidal activity of six limonoids. J Nat Med. 2020 Jun;74(3):606-611. doi: 10.1007/s11418-020-01408-7. Epub 2020 Apr 10. [PubMed:32277328 ]
Kouam AF, Njayou FN, Yuan F, Oladejo BO, Hongtao H, Mkounga P, Moundipa PF: Inhibitory activity of limonoids from Khaya grandifoliola C.DC (Meliaceae) against hepatitis C virus infection in vitro. Avicenna J Phytomed. 2021 Jul-Aug;11(4):353-366. doi: 10.22038/AJP.2020.17215. [PubMed:34290967 ]
Matsumoto C, Maehara T, Tanaka R, Fujimori K: Limonoid 7-Deacetoxy-7-oxogedunin from Andiroba, Carapa guianensis, Meliaceae, Decreased Body Weight Gain, Improved Insulin Sensitivity, and Activated Brown Adipose Tissue in High-Fat-Diet-Fed Mice. J Agric Food Chem. 2019 Sep 11;67(36):10107-10115. doi: 10.1021/acs.jafc.9b04362. Epub 2019 Sep 3. [PubMed:31434473 ]
Matsumoto C, Koike A, Tanaka R, Fujimori K: A Limonoid, 7-Deacetoxy-7-Oxogedunin (CG-1) from Andiroba (Carapa guianensis, Meliaceae) Lowers the Accumulation of Intracellular Lipids in Adipocytes via Suppression of IRS-1/Akt-Mediated Glucose Uptake and a Decrease in GLUT4 Expression. Molecules. 2019 Apr 28;24(9):1668. doi: 10.3390/molecules24091668. [PubMed:31035366 ]
Pathak RK, Kim DY, Lim B, Kim JM: Investigating Multi-Target Antiviral Compounds by Screening of Phytochemicals From Neem (Azadirachta indica) Against PRRSV: A Vetinformatics Approach. Front Vet Sci. 2022 Jun 16;9:854528. doi: 10.3389/fvets.2022.854528. eCollection 2022. [PubMed:35782555 ]
Silva Dos Reis A, Santos AS, Francisco de Carvalho Goncalves J: Ultrasound-assisted lipid extractions, enriched with sterols and tetranortriterpenoids, from Carapa guianensis seeds and the application of lipidomics using GC/MS. RSC Adv. 2021 Oct 8;11(52):33160-33168. doi: 10.1039/d1ra04776k. eCollection 2021 Oct 4. [PubMed:35493601 ]
Jin Z, Ma J, Zhu G, Zhang H: Discovery of Novel Anti-cryptosporidial Activities From Natural Products by in vitro High-Throughput Phenotypic Screening. Front Microbiol. 2019 Aug 29;10:1999. doi: 10.3389/fmicb.2019.01999. eCollection 2019. [PubMed:31551955 ]
LOTUS database [Link]

Showing NP-Card for (1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione (NP0281575)

MOL for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D MOL for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D SDF for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D-SDF for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

PDB for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D PDB for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

SMILES for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

INCHI for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

Structure for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D Structure for NP0281575 ((1r,2r,4s,7s,8s,11r,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)