NP-MRD: Showing NP-Card for methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate (NP0215042)

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Record Information

Version

1.0

Created at

2022-09-05 14:30:09 UTC

Updated at

2022-09-05 14:30:09 UTC

NP-MRD ID

NP0215042

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate

Description

Prugosene B2 belongs to the class of organic compounds known as pyrans. Pyrans are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds. methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate is found in Talaromyces rugulosus. It was first documented in 2022 (PMID: 36071728). Based on a literature review a significant number of articles have been published on Prugosene B2 (PMID: 36071178) (PMID: 36068602) (PMID: 36067875) (PMID: 36067303).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052216302D          

 35 36  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309052216302D          

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  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  1  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 24  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  1  0  0  0
 30 33  1  0  0  0  0
 33 34  2  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0215042

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@H](C)[C@H]1OC(=O)[C@@H](C)[C@@]1(C)\C=C\C=C\C=C\C=C\C=C(/C)[C@H]1O[C@@H](C)[C@@](C)(O)C=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C29H40O6/c1-19(24-20(2)18-29(7,32)23(5)34-24)16-14-12-10-9-11-13-15-17-28(6)22(4)27(31)35-25(28)21(3)26(30)33-8/h9-18,21-25,32H,1-8H3/b10-9+,13-11+,14-12+,17-15+,19-16+/t21-,22+,23-,24+,25+,28+,29-/m0/s1

> <INCHI_KEY>
OSMGLBXNQSXIGQ-RKRQUAHGSA-N

> <FORMULA>
C29H40O6

> <MOLECULAR_WEIGHT>
484.633

> <EXACT_MASS>
484.282489008

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
55.13108001092778

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2S)-2-[(2R,3R,4S)-3-[(1E,3E,5E,7E,9E)-10-[(2R,5S,6S)-5-hydroxy-3,5,6-trimethyl-5,6-dihydro-2H-pyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate

> <JCHEM_LOGP>
4.866585517333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.66559784584955

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3824675022254054

> <JCHEM_POLAR_SURFACE_AREA>
82.06000000000002

> <JCHEM_REFRACTIVITY>
143.27230000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2S)-2-[(2R,3R,4S)-3-[(1E,3E,5E,7E,9E)-10-[(2R,5S,6S)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       1.772 -15.706   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.628 -14.675   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.837 -15.151   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.157 -16.657   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.981 -14.121   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.661 -12.614   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.446 -14.596   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -3.922 -16.061   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.462 -16.061   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -6.367 -17.307   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -5.938 -14.596   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -7.402 -14.121   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.692 -13.691   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.448 -12.350   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.936 -12.350   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.396 -12.333   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.640 -10.992   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.100 -10.976   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.656  -9.634   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.196  -9.618   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.952  -8.276   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.492  -8.260   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.248  -6.918   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.788  -6.902   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.572  -8.228   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.544  -5.561   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.760  -4.235   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.516  -2.893   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.732  -1.568   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.056  -2.877   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.773  -1.364   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      10.497  -2.335   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       9.840  -4.203   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.084  -5.545   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.868  -6.870   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    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   13                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    7   14   15                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   34                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32   33                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   30   34                                                       
CONECT   34   33   26   35                                                  
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₀O₆

Average Mass

484.6330 Da

Monoisotopic Mass

484.28249 Da

IUPAC Name

methyl (2S)-2-[(2R,3R,4S)-3-[(1E,3E,5E,7E,9E)-10-[(2R,5S,6S)-5-hydroxy-3,5,6-trimethyl-5,6-dihydro-2H-pyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate

Traditional Name

methyl (2S)-2-[(2R,3R,4S)-3-[(1E,3E,5E,7E,9E)-10-[(2R,5S,6S)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@H](C)[C@H]1OC(=O)[C@@H](C)[C@@]1(C)\C=C\C=C\C=C\C=C\C=C(/C)[C@H]1O[C@@H](C)[C@@](C)(O)C=C1C

InChI Identifier

InChI=1S/C29H40O6/c1-19(24-20(2)18-29(7,32)23(5)34-24)16-14-12-10-9-11-13-15-17-28(6)22(4)27(31)35-25(28)21(3)26(30)33-8/h9-18,21-25,32H,1-8H3/b10-9+,13-11+,14-12+,17-15+,19-16+/t21-,22+,23-,24+,25+,28+,29-/m0/s1

InChI Key

OSMGLBXNQSXIGQ-RKRQUAHGSA-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
Talaromyces rugulosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrans. Pyrans are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrans

Sub Class

Not Available

Direct Parent

Pyrans

Alternative Parents

Substituents

Pyran
Gamma butyrolactone
Dicarboxylic acid or derivatives
Methyl ester
Tetrahydrofuran
Tertiary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	4.87	ChemAxon
pKa (Strongest Acidic)	13.67	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	82.06 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	143.27 m³·mol⁻¹	ChemAxon
Polarizability	55.13 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

78440417

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139587618

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wilde SA, Carroway WP, Hsu DS, Banks KC, Velotta JB: Invasive type B2 thymoma associated with myasthenia gravis, resection with superior vena cava reconstruction. J Surg Case Rep. 2022 Sep 5;2022(9):rjac368. doi: 10.1093/jscr/rjac368. eCollection 2022 Sep. [PubMed:36071728 ]
Sharon T, Naftali Ben Haim L, Rabinowicz N, Kidron D, Kidron A, Ton Y, Einan-Lifshitz A, Assia EI, Belkin A: The effect of hypotensive drugs on intraocular lenses clarity. Eye (Lond). 2023 Jun;37(8):1696-1703. doi: 10.1038/s41433-022-02225-w. Epub 2022 Sep 7. [PubMed:36071178 ]
Kudinha T, Kong F: Distribution of papG alleles among uropathogenic Escherichia coli from reproductive age women. J Biomed Sci. 2022 Sep 7;29(1):66. doi: 10.1186/s12929-022-00848-5. [PubMed:36068602 ]
Montenegro MM, Camilotti D, Quaio CRDC, Gasparini Y, Zanardo EA, Rangel-Santos A, Novo-Filho GM, Francisco G, Liro L, Nascimento A, Chehimi SN, Soares DCQ, Krepischi ACV, Grassi MS, Honjo RS, Palmeira P, Kim CA, Carneiro-Sampaio MMS, Rosenberg C, Kulikowski LD: Expanding the Phenotype of 8p23.1 Deletion Syndrome: Eight New Cases Resembling the Clinical Spectrum of 22q11.2 Microdeletion. J Pediatr. 2023 Jan;252:56-60.e2. doi: 10.1016/j.jpeds.2022.08.051. Epub 2022 Sep 5. [PubMed:36067875 ]
Sherbo RS, Silver PA, Nocera DG: Riboflavin synthesis from gaseous nitrogen and carbon dioxide by a hybrid inorganic-biological system. Proc Natl Acad Sci U S A. 2022 Sep 13;119(37):e2210538119. doi: 10.1073/pnas.2210538119. Epub 2022 Sep 6. [PubMed:36067303 ]
LOTUS database [Link]

Showing NP-Card for methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate (NP0215042)

MOL for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

3D MOL for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

3D SDF for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

3D-SDF for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

PDB for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

3D PDB for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

SMILES for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

INCHI for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

Structure for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)

3D Structure for NP0215042 (methyl (2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate)