NP-MRD: Showing NP-Card for 6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate (NP0218385)

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Record Information

Version

2.0

Created at

2022-09-05 19:02:30 UTC

Updated at

2022-09-05 19:02:30 UTC

NP-MRD ID

NP0218385

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate

Description

6-Formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. 6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate is found in Lecocarpus lecocarpoides. 6-Formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004201501282D          

 32 33  0  0  0  0            999 V2000
   -0.0422   -2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3868   -2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3868   -3.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6163   -1.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157   -2.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5302   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1712   -1.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122   -0.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8741    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2331   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0401   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8892   -2.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6343   -2.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273   -3.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   -3.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6078   -3.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -4.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216   -2.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8071   -2.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753   -2.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482   -2.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  4  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 28  1  0  0  0  0
 22 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 16 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END


  Mrv1533004201501282D          

 32 33  0  0  0  0            999 V2000
   -0.0422   -2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3868   -2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3868   -3.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1013   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6163   -1.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157   -2.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5302   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1712   -1.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122   -0.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8741    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2331   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0401   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8892   -2.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6343   -2.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273   -3.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   -3.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6078   -3.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -4.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216   -2.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8071   -2.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753   -2.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482   -2.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6811    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  4  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  4  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 28  1  0  0  0  0
 22 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 16 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0218385

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)C=C(CO)CCC=C(C=O)C1OC(=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C24H32O8/c1-6-14(4)23(28)32-21-19-15(5)24(29)30-18(19)10-16(11-25)8-7-9-17(12-26)20(21)31-22(27)13(2)3/h9-10,12-14,18-21,25H,5-8,11H2,1-4H3

> <INCHI_KEY>
SUCQNIOOTJOMQL-UHFFFAOYSA-N

> <FORMULA>
C24H32O8

> <MOLECULAR_WEIGHT>
448.512

> <EXACT_MASS>
448.20971799

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
46.43980717039481

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate

> <ALOGPS_LOGP>
1.84

> <JCHEM_LOGP>
3.118177626

> <ALOGPS_LOGS>
-3.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.70038969556893

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.146222391039519

> <JCHEM_PKA_STRONGEST_BASIC>
-2.734788831721626

> <JCHEM_POLAR_SURFACE_AREA>
116.20000000000002

> <JCHEM_REFRACTIVITY>
116.5979

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0      -0.079  -4.074   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.255  -3.304   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.589  -4.074   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.589  -5.614   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.922  -3.304   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       3.017  -2.058   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       5.256  -4.074   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.590  -3.304   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.559  -2.159   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.053  -2.479   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.022  -1.335   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.516  -1.655   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       3.498   0.130   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.468   1.274   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.529   1.274   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.035  -0.695   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.541  -0.374   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.572  -1.519   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.096  -2.984   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.127  -4.128   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.651  -5.593   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.144  -5.913   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.374  -7.246   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.868  -6.926   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.723  -7.957   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.707  -5.395   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.373  -4.625   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.114  -4.768   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.633  -3.808   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      11.663  -4.952   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.005   0.450   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.481   1.914   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   28                                                  
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    9   17   31                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   29                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   28                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26    8   22                                                  
CONECT   29   20   30                                                       
CONECT   30   29                                                            
CONECT   31   16   32                                                       
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   66    0
END

View in JSmol

Synonyms

Value	Source
6-Formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoic acid	Generator

Chemical Formula

C₂₄H₃₂O₈

Average Mass

448.5120 Da

Monoisotopic Mass

448.20972 Da

IUPAC Name

6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate

Traditional Name

6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbutanoate

CAS Registry Number

Not Available

SMILES

CCC(C)C(=O)OC1C2C(OC(=O)C2=C)C=C(CO)CCC=C(C=O)C1OC(=O)C(C)C

InChI Identifier

InChI=1S/C24H32O8/c1-6-14(4)23(28)32-21-19-15(5)24(29)30-18(19)10-16(11-25)8-7-9-17(12-26)20(21)31-22(27)13(2)3/h9-10,12-14,18-21,25H,5-8,11H2,1-4H3

InChI Key

SUCQNIOOTJOMQL-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Lecocarpus lecocarpoides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Germacranolides and derivatives

Alternative Parents

Substituents

Germacranolide
Germacrane sesquiterpenoid
Sesquiterpenoid
Tricarboxylic acid or derivatives
Fatty acid ester
Gamma butyrolactone
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Aldehyde
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Primary alcohol
Organooxygen compound
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	1.84	ALOGPS
logP	3.12	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	15.15	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	116.2 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	116.6 m³·mol⁻¹	ChemAxon
Polarizability	46.44 Å³	ChemAxon
Number of Rings	2	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

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Phenol Explorer Compound ID

Not Available

FoodDB ID

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KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate (NP0218385)

MOL for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

3D MOL for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

3D SDF for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

3D-SDF for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

PDB for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

3D PDB for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

SMILES for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

INCHI for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

Structure for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)

3D Structure for NP0218385 (6-formyl-10-(hydroxymethyl)-3-methylidene-5-[(2-methylpropanoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate)