NP-MRD: Showing NP-Card for (1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate (NP0210221)

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Record Information

Version

2.0

Created at

2022-09-05 07:55:59 UTC

Updated at

2022-09-05 07:55:59 UTC

NP-MRD ID

NP0210221

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate

Description

(1R,3R,4R,5R,7S,8S,9R,12S,13S,14S)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]Hexadec-10-en-9-yl (2R)-2-methylbutanoate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate is found in Euphorbia cornigera. Based on a literature review very few articles have been published on (1R,3R,4R,5R,7S,8S,9R,12S,13S,14S)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]Hexadec-10-en-9-yl (2R)-2-methylbutanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052209562D          

 41 44  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309052209562D          

 41 44  0  0  1  0            999 V2000
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    1.1355    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8500    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9590    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0960    1.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660    2.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2789   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2319    1.3099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8842    1.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6478    1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3000    2.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591    0.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837    0.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837   -0.0607    0.0000 C   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  6  0  0  0
  3  5  1  0  0  0  0
  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
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  1  6  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  6  0  0  0
 16 18  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 14 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  6  0  0  0
 27 25  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34  8  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 33 39  1  6  0  0  0
 32 39  1  6  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0210221

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@@H](C)C(=O)O[C@H]1[C@@H](OC(C)=O)[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@@]3(O4)\C=C1/C)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C31H44O10/c1-11-14(2)28(36)40-23-15(3)12-31-27(39-20(8)34)16(4)13-30(31,41-31)26(35)17(5)24(37-18(6)32)21-22(29(21,9)10)25(23)38-19(7)33/h12,14,16-17,21-25,27H,11,13H2,1-10H3/b15-12+/t14-,16+,17-,21+,22-,23-,24+,25+,27+,30+,31+/m1/s1

> <INCHI_KEY>
PMOFWOVEFNZKBE-XKHTXDPWSA-N

> <FORMULA>
C31H44O10

> <MOLECULAR_WEIGHT>
576.683

> <EXACT_MASS>
576.293447617

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
61.12114118688811

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0^{1,12}.0^{5,7}]hexadec-10-en-9-yl (2R)-2-methylbutanoate

> <JCHEM_LOGP>
3.9720509756666655

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.75621060302418

> <JCHEM_PKA_STRONGEST_BASIC>
-4.352356331196467

> <JCHEM_POLAR_SURFACE_AREA>
134.8

> <JCHEM_REFRACTIVITY>
144.60910000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0^{1,12}.0^{5,7}]hexadec-10-en-9-yl (2R)-2-methylbutanoate

> <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       4.583   9.376   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.678   8.130   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.304   6.724   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.399   5.478   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.836   6.563   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.741   7.808   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       6.462   5.156   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.557   3.910   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.017   3.910   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.771   4.815   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.541   2.445   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.120   1.540   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.453   0.770   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.120   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.655  -0.476   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.250   0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.790   0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.655   2.016   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.179   3.481   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.327   3.801   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.358   2.656   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.803   5.265   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.453  -0.770   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.453  -2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.121  -2.310   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.454  -3.080   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.788  -2.310   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       7.454  -4.620   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       7.454  -0.000   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.033   2.445   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       7.250   3.388   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       8.676   2.805   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.893   3.748   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       8.884   1.279   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       8.788   0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.050   1.653   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.050  -0.113   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                                                       
CONECT    8    7    9   34                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14   18                                             
CONECT   13   12   14                                                       
CONECT   14   13   12   15   23                                             
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   12   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   14   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   27   33   39                                                  
CONECT   33   32   34   39                                                  
CONECT   34   33    8   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   33   32   40   41                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Value	Source
(1R,3R,4R,5R,7S,8S,9R,12S,13S,14S)-4,8,13-Tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0,.0,]hexadec-10-en-9-yl (2R)-2-methylbutanoic acid	Generator

Chemical Formula

C₃₁H₄₄O₁₀

Average Mass

576.6830 Da

Monoisotopic Mass

576.29345 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC[C@@H](C)C(=O)O[C@H]1[C@@H](OC(C)=O)[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@@]3(O4)\C=C1/C)C2(C)C

InChI Identifier

InChI=1S/C31H44O10/c1-11-14(2)28(36)40-23-15(3)12-31-27(39-20(8)34)16(4)13-30(31,41-31)26(35)17(5)24(37-18(6)32)21-22(29(21,9)10)25(23)38-19(7)33/h12,14,16-17,21-25,27H,11,13H2,1-10H3/b15-12+/t14-,16+,17-,21+,22-,23-,24+,25+,27+,30+,31+/m1/s1

InChI Key

PMOFWOVEFNZKBE-XKHTXDPWSA-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
Euphorbia cornigera	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Ingol
Diterpenoid
Lathyrane diterpenoid
Tetracarboxylic acid or derivatives
Fatty acid ester
Oxane
Fatty acyl
Ketone
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
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

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

163021098

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate (NP0210221)

MOL for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

3D MOL for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

3D SDF for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

3D-SDF for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

PDB for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

3D PDB for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

SMILES for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

INCHI for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

Structure for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)

3D Structure for NP0210221 ((1r,3r,4r,5r,7s,8s,9r,10e,12s,13s,14s)-4,8,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2r)-2-methylbutanoate)