NP-MRD: Showing NP-Card for {9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate (NP0224291)

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Record Information

Version

2.0

Created at

2022-09-06 02:36:53 UTC

Updated at

2022-09-06 02:36:53 UTC

NP-MRD ID

NP0224291

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate

Description

{9,14-Dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]Nonadecan-7-yl}methyl acetate belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. {9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate is found in Isodon serra. {9,14-Dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]Nonadecan-7-yl}methyl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171508162D          

 30 34  0  0  0  0            999 V2000
   -0.4527   -2.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076   -1.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551   -1.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -1.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2910   -1.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1141   -1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9319   -2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0438   -0.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7179    0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829   -0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154    0.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238    0.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3270    0.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680   -0.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2859   -1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8110   -2.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758   -2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880   -2.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5914   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6668   -1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0570   -1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141   -2.6521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354   -2.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1537   -2.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -1.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6257   -0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4294   -0.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687   -0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    0.6680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  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  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  6 26  1  0  0  0  0
 21 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END


  Mrv1533004171508162D          

 30 34  0  0  0  0            999 V2000
   -0.4527   -2.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076   -1.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551   -1.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -1.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2910   -1.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1141   -1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9319   -2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0438   -0.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7179    0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829   -0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154    0.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238    0.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3270    0.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680   -0.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2859   -1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8110   -2.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758   -2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880   -2.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5914   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6668   -1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0570   -1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141   -2.6521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354   -2.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1537   -2.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -1.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6257   -0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4294   -0.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687   -0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    0.6680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  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  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  6 26  1  0  0  0  0
 21 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0224291

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OCC1(C)CCC2OC(=O)C34CC(CC(O)C3C22COC(O)C12)C(=C)C4=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)25)19(27)30-14-4-5-20(3,8-28-11(2)23)16-18(26)29-9-22(14,15)16/h12-16,18,24,26H,1,4-9H2,2-3H3

> <INCHI_KEY>
WORCTCAHGPHFQO-UHFFFAOYSA-N

> <FORMULA>
C22H28O8

> <MOLECULAR_WEIGHT>
420.458

> <EXACT_MASS>
420.178417862

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
42.12111868481662

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
{9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate

> <ALOGPS_LOGP>
0.37

> <JCHEM_LOGP>
0.44509003833333294

> <ALOGPS_LOGS>
-2.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.848462062040799

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.140725100328902

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8655458930256223

> <JCHEM_POLAR_SURFACE_AREA>
119.36000000000001

> <JCHEM_REFRACTIVITY>
101.6542

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      -0.845  -4.707   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.014  -3.429   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -0.663  -2.046   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       1.551  -3.535   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.410  -2.257   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.946  -2.362   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.606  -3.864   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.815  -0.838   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.073   0.057   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.501  -0.605   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.495   0.596   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       9.004   0.340   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       9.944   1.560   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.647  -1.073   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.604  -1.936   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.734  -2.785   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.847  -4.102   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.288  -3.890   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.378  -5.132   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       8.571  -2.368   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.845  -2.206   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.573  -3.650   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.746  -4.951   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.293  -4.480   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.020  -5.347   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.387  -2.932   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.368  -1.327   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.868  -0.980   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.142  -0.284   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      11.310   1.247   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   26                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   20   29                                             
CONECT   15   14   16                                                       
CONECT   16   15   17   27                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   14   21                                                  
CONECT   21   20   10   22   26                                             
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24    6   21                                                  
CONECT   27   16   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   14   30                                                  
CONECT   30   29                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   68    0
END

View in JSmol

Synonyms

Value	Source
{9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0,.0,.0,]nonadecan-7-yl}methyl acetic acid	Generator
{9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetic acid	Generator

Chemical Formula

C₂₂H₂₈O₈

Average Mass

420.4580 Da

Monoisotopic Mass

420.17842 Da

IUPAC Name

{9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate

Traditional Name

{9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OCC1(C)CCC2OC(=O)C34CC(CC(O)C3C22COC(O)C12)C(=C)C4=O

InChI Identifier

InChI=1S/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)25)19(27)30-14-4-5-20(3,8-28-11(2)23)16-18(26)29-9-22(14,15)16/h12-16,18,24,26H,1,4-9H2,2-3H3

InChI Key

WORCTCAHGPHFQO-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Isodon serra	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Kaurane diterpenoid
Delta valerolactone
Delta_valerolactone
Dicarboxylic acid or derivatives
Oxane
Cyclic alcohol
Tetrahydrofuran
Carboxylic acid ester
Secondary alcohol
Hemiacetal
Ketone
Lactone
Organoheterocyclic compound
Carboxylic acid derivative
Oxacycle
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
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	0.37	ALOGPS
logP	0.45	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	12.14	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	119.36 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	101.65 m³·mol⁻¹	ChemAxon
Polarizability	42.12 Å³	ChemAxon
Number of Rings	5	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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for {9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate (NP0224291)

MOL for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

3D MOL for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

3D SDF for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

3D-SDF for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

PDB for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

3D PDB for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

SMILES for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

INCHI for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

Structure for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)

3D Structure for NP0224291 ({9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-7-yl}methyl acetate)