NP-MRD: Showing NP-Card for (3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid (NP0243145)

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Record Information

Version

2.0

Created at

2022-09-07 03:37:52 UTC

Updated at

2022-09-07 03:37:52 UTC

NP-MRD ID

NP0243145

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid

Description

(3S,6R,7R,8S,11S,12S,15S,16R,19R,20S,21R)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]Tricos-1(23)-ene-7-carboxylic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid is found in Palhinhaea cernua. Based on a literature review very few articles have been published on (3S,6R,7R,8S,11S,12S,15S,16R,19R,20S,21R)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]Tricos-1(23)-ene-7-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072205372D          

 35 39  0  0  1  0            999 V2000
    5.5027    4.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6257    3.8098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.0188    4.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024    3.3234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5976    2.7623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9928    2.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7812    1.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1743    2.2759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9626    2.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2613    3.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7216    4.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0715    4.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8093    3.0054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.4699    2.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9555    3.0054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.6715    3.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8824    4.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 33  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  1  6  0  0  0
 21 35  1  0  0  0  0
  2 35  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072205372D          

 35 39  0  0  1  0            999 V2000
    5.5027    4.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6257    3.8098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.7460    4.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624    3.3234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7740    3.0802    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6715    3.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9501    3.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    3.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5905    2.2759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8021    2.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1952    1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9836    1.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1672    2.7623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7719    2.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    4.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  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  1  0  0  0
 10 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  1  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  6 17  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  6  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 20 33  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  1  6  0  0  0
 21 35  1  0  0  0  0
  2 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0243145

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]12CC[C@@H]3[C@@](C)(CC[C@H](O)[C@]3(C)C(O)=O)[C@H]1CC[C@H]1C(C2)=CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C30H48O5/c1-26-13-10-22-28(3,15-12-24(33)30(22,5)25(34)35)20(26)9-7-19-18(16-26)6-8-21-27(19,2)14-11-23(32)29(21,4)17-31/h6,19-24,31-33H,7-17H2,1-5H3,(H,34,35)/t19-,20-,21+,22+,23+,24-,26-,27+,28-,29+,30+/m0/s1

> <INCHI_KEY>
ISFIVPSZFJMIOJ-RVKMZQRASA-N

> <FORMULA>
C30H48O5

> <MOLECULAR_WEIGHT>
488.709

> <EXACT_MASS>
488.350174646

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
56.98657058383017

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,6R,7R,8S,11S,12S,15S,16R,19R,20S,21R)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0^{3,12}.0^{6,11}.0^{16,21}]tricos-1(23)-ene-7-carboxylic acid

> <JCHEM_LOGP>
4.227772754666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.28495622002135

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.391921816455399

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7856804197233798

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
137.04059999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3S,6R,7R,8S,11S,12S,15S,16R,19R,20S,21R)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0^{3,12}.0^{6,11}.0^{16,21}]tricos-1(23)-ene-7-carboxylic acid

> <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      10.272   8.634   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.501   7.112   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.630   8.159   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.102   7.705   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.444   6.204   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.316   5.156   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.187   4.109   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.658   3.655   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.130   3.201   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.259   4.248   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.730   3.794   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      14.916   5.750   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.405   6.145   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.421   7.205   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      14.414   8.369   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      16.933   7.495   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      10.844   5.610   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.884   4.406   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.344   4.406   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.384   5.610   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.726   7.112   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.597   8.159   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.126   7.705   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.783   6.204   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.312   5.750   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.120   7.278   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.773   5.827   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.071   7.197   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.969   4.248   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.497   3.794   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.098   3.201   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.569   3.655   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.912   5.156   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.041   4.109   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.114   7.780   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   17   35                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7    8   17                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    5   13   14                                             
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    6    2   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   33                                                  
CONECT   21   20   22   35                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   33                                                  
CONECT   25   24   26   27   29                                             
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27                                                            
CONECT   29   25   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   20   24   34                                             
CONECT   34   33                                                            
CONECT   35   21    2                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Value	Source
(3S,6R,7R,8S,11S,12S,15S,16R,19R,20S,21R)-8,19-Dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0,.0,.0,]tricos-1(23)-ene-7-carboxylate	Generator

Chemical Formula

C₃₀H₄₈O₅

Average Mass

488.7090 Da

Monoisotopic Mass

488.35017 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@]12CC[C@@H]3[C@@](C)(CC[C@H](O)[C@]3(C)C(O)=O)[C@H]1CC[C@H]1C(C2)=CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@]12C

InChI Identifier

InChI=1S/C30H48O5/c1-26-13-10-22-28(3,15-12-24(33)30(22,5)25(34)35)20(26)9-7-19-18(16-26)6-8-21-27(19,2)14-11-23(32)29(21,4)17-31/h6,19-24,31-33H,7-17H2,1-5H3,(H,34,35)/t19-,20-,21+,22+,23+,24-,26-,27+,28-,29+,30+/m0/s1

InChI Key

ISFIVPSZFJMIOJ-RVKMZQRASA-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
Palhinhaea cernua	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Beta-hydroxy acid
Hydroxy acid
Cyclic alcohol
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organic oxygen compound
Organooxygen compound
Primary alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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

162865772

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid (NP0243145)

MOL for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

3D MOL for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

3D SDF for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

3D-SDF for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

PDB for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

3D PDB for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

SMILES for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

INCHI for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

Structure for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)

3D Structure for NP0243145 ((3s,6r,7r,8s,11s,12s,15s,16r,19r,20s,21r)-8,19-dihydroxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-ene-7-carboxylic acid)