NP-MRD: Showing NP-Card for (3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate (NP0241536)

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Record Information

Version

2.0

Created at

2022-09-07 01:38:23 UTC

Updated at

2022-09-07 01:38:24 UTC

NP-MRD ID

NP0241536

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate

Description

Nortrilobolide belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. (3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate is found in Thapsia garganica and Thapsia gymnesica. (3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate was first documented in 2017 (PMID: 28422492). Based on a literature review a small amount of articles have been published on Nortrilobolide (PMID: 31448610) (PMID: 30202426) (PMID: 29636219) (PMID: 28149952).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072203382D          

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M  END

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  Mrv1652309072203382D          

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  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0241536

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O

> <INCHI_IDENTIFIER>
InChI=1S/C26H36O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,16-18,21,31-32H,8,10-12H2,1-7H3/b13-9-/t16-,17+,18-,21-,24-,25+,26+/m0/s1

> <INCHI_KEY>
WEJWYRUDUWBNIB-YQMCDBNQSA-N

> <FORMULA>
C26H36O10

> <MOLECULAR_WEIGHT>
508.564

> <EXACT_MASS>
508.230847359

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
52.656227591686395

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_LOGP>
2.0533677933333347

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.498791628110798

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.135620994632912

> <JCHEM_PKA_STRONGEST_BASIC>
-4.307562133406727

> <JCHEM_POLAR_SURFACE_AREA>
145.66

> <JCHEM_REFRACTIVITY>
125.76969999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4H,5H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.787  -5.130   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.120  -4.360   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.120  -2.820   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.454  -2.050   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.787  -2.050   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.453  -2.820   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -3.787  -0.510   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.453   0.260   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.046  -0.366   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.016   0.778   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.786   2.112   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.292   1.792   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.436   2.822   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.223   3.546   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.109   4.805   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.186   6.037   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.640   7.509   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.272   5.539   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.801   5.355   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.614   7.041   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.249   4.000   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.615   4.709   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.521   3.132   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.855   3.902   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.188   3.132   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       5.188   1.592   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.522   3.902   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.856   3.132   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.189   3.902   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.636   1.596   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.507   0.549   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.244  -0.968   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.580  -0.556   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       4.073  -0.180   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.494   1.301   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.146  -1.285   0.000  0.00  0.00           O+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                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   31                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11    8   13                                                  
CONECT   13   12                                                            
CONECT   14   11   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   14   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   30                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   23   31                                                       
CONECT   31   30   10   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₆O₁₀

Average Mass

508.5640 Da

Monoisotopic Mass

508.23085 Da

IUPAC Name

(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate

Traditional Name

(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4H,5H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

CCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O

InChI Identifier

InChI=1S/C26H36O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,16-18,21,31-32H,8,10-12H2,1-7H3/b13-9-/t16-,17+,18-,21-,24-,25+,26+/m0/s1

InChI Key

WEJWYRUDUWBNIB-YQMCDBNQSA-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
Thapsia garganica	LOTUS Database	35616633
Thapsia gymnesica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Fatty acid ester
Fatty acyl
Gamma butyrolactone
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Lactone
Carboxylic acid ester
1,2-diol
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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	2.05	ChemAxon
pKa (Strongest Acidic)	11.14	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	145.66 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	125.77 m³·mol⁻¹	ChemAxon
Polarizability	52.66 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

8273308

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10097774

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hu X, Musacchio AJ, Shen X, Tao Y, Maimone TJ: Allylative Approaches to the Synthesis of Complex Guaianolide Sesquiterpenes from Apiaceae and Asteraceae. J Am Chem Soc. 2019 Sep 18;141(37):14904-14915. doi: 10.1021/jacs.9b08001. Epub 2019 Sep 6. [PubMed:31448610 ]
Lopez CQ, Corral P, Lorrain-Lorrette B, Martinez-Swatson K, Michoux F, Simonsen HT: Use of a temporary immersion bioreactor system for the sustainable production of thapsigargin in shoot cultures of Thapsia garganica. Plant Methods. 2018 Sep 8;14:79. doi: 10.1186/s13007-018-0346-z. eCollection 2018. [PubMed:30202426 ]
Chu H, Dunstl G, Felding J, Baran PS: Divergent synthesis of thapsigargin analogs. Bioorg Med Chem Lett. 2018 Sep 1;28(16):2705-2707. doi: 10.1016/j.bmcl.2018.03.065. Epub 2018 Mar 23. [PubMed:29636219 ]
Chen D, Evans PA: A Concise, Efficient and Scalable Total Synthesis of Thapsigargin and Nortrilobolide from (R)-(-)-Carvone. J Am Chem Soc. 2017 May 3;139(17):6046-6049. doi: 10.1021/jacs.7b01734. Epub 2017 Apr 19. [PubMed:28422492 ]
Chu H, Smith JM, Felding J, Baran PS: Scalable Synthesis of (-)-Thapsigargin. ACS Cent Sci. 2017 Jan 25;3(1):47-51. doi: 10.1021/acscentsci.6b00313. Epub 2016 Dec 19. [PubMed:28149952 ]
LOTUS database [Link]

Showing NP-Card for (3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate (NP0241536)

MOL for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

3D MOL for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

3D SDF for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

3D-SDF for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

PDB for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

3D PDB for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

SMILES for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

INCHI for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

Structure for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)

3D Structure for NP0241536 ((3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate)