NP-MRD: Showing NP-Card for (1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid (NP0144923)

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Record Information

Version

2.0

Created at

2022-09-02 00:00:47 UTC

Updated at

2022-09-02 00:00:47 UTC

NP-MRD ID

NP0144923

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid

Description

Zizyberenalic acid, also known as zizyberenalate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid is found in Paliurus hemsleyanus and Ziziphus mauritiana. (1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid was first documented in 2004 (PMID: 15516743). Based on a literature review a small amount of articles have been published on Zizyberenalic acid (PMID: 23302528) (PMID: 19359121) (PMID: 21284082) (PMID: 16595959).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022202002D          

 33 37  0  0  1  0            999 V2000
    3.2033    0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33  4  1  6  0  0  0
  7 33  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309022202002D          

 33 37  0  0  1  0            999 V2000
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  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 21 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 18 31  1  0  0  0  0
 13 31  1  0  0  0  0
 31 32  1  6  0  0  0
 15 33  1  0  0  0  0
 33  4  1  6  0  0  0
  7 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0144923

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)C=C5C=O)[C@@H]12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)/t20-,21+,22-,23-,24+,27+,28+,29-,30-/m0/s1

> <INCHI_KEY>
GUPQNHIGLNUBOG-XWZLEBTESA-N

> <FORMULA>
C30H44O3

> <MOLECULAR_WEIGHT>
452.679

> <EXACT_MASS>
452.329045277

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
53.305555759030455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5S,8R,9R,10R,13S,14S,18S)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icos-15-ene-5-carboxylic acid

> <ALOGPS_LOGP>
6.21

> <JCHEM_LOGP>
6.340497443666667

> <ALOGPS_LOGS>
-6.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.69638139322645

> <JCHEM_PKA_STRONGEST_BASIC>
-4.758072629298545

> <JCHEM_POLAR_SURFACE_AREA>
54.37

> <JCHEM_REFRACTIVITY>
132.6994

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.56e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5S,8R,9R,10R,13S,14S,18S)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icos-15-ene-5-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       5.980   0.205   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.124  -0.825   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.589  -0.349   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.804  -2.331   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.397  -2.958   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.558  -4.489   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.064  -4.810   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.159  -6.055   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.628  -5.894   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.785  -7.462   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.834  -6.143   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.374  -6.143   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.144  -4.810   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.914  -6.143   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.374  -3.476   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.144  -2.142   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.684  -2.142   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.454  -3.476   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.994  -3.476   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.368  -2.069   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      15.025  -2.331   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.705  -0.825   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      15.849   0.205   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      16.432  -2.958   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.271  -4.489   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.811  -4.489   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.432  -6.021   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.764  -4.810   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.994  -6.143   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.454  -6.143   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.684  -4.810   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.845  -6.341   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.834  -3.476   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   33                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   11   33                                             
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    7   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   31                                             
CONECT   14   13                                                            
CONECT   15   13   16   33                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   31                                                  
CONECT   19   18   20   21   28                                             
CONECT   20   19                                                            
CONECT   21   19   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25   19   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   18   13   32                                             
CONECT   32   31                                                            
CONECT   33   15    4    7                                                  
MASTER        0    0    0    0    0    0    0    0   33    0   74    0
END

View in JSmol

Synonyms

Value	Source
Zizyberenalate	Generator

Chemical Formula

C₃₀H₄₄O₃

Average Mass

452.6790 Da

Monoisotopic Mass

452.32905 Da

IUPAC Name

(1R,2R,5S,8R,9R,10R,13S,14S,18S)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icos-15-ene-5-carboxylic acid

Traditional Name

(1R,2R,5S,8R,9R,10R,13S,14S,18S)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0^{2,10}.0^{5,9}.0^{14,18}]icos-15-ene-5-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)C=C5C=O)[C@@H]12)C(O)=O

InChI Identifier

InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)/t20-,21+,22-,23-,24+,27+,28+,29-,30-/m0/s1

InChI Key

GUPQNHIGLNUBOG-XWZLEBTESA-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
Paliurus hemsleyanus	LOTUS Database	35616633
Ziziphus mauritiana	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
Steroid acid
3-carboxy steroid
18-oxosteroid
18-hydroxysteroid
Hydroxysteroid
Oxosteroid
Steroid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organooxygen compound
Aldehyde
Carbonyl group
Organic oxide
Hydrocarbon derivative
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
logP	6.21	ALOGPS
logP	6.34	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Acidic)	4.7	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	54.37 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	132.7 m³·mol⁻¹	ChemAxon
Polarizability	53.31 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

76782366

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101936049

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang XY, Cai XH, Luo XD: Chemical constituents of Allophylus longipes. Chin J Nat Med. 2012 Jan;10(1):36-9. doi: 10.1016/S1875-5364(12)60008-9. [PubMed:23302528 ]
Guo S, Duan JA, Tang Y, Su S, Shang E, Ni S, Qian D: High-performance liquid chromatography--two wavelength detection of triterpenoid acids from the fruits of Ziziphus jujuba containing various cultivars in different regions and classification using chemometric analysis. J Pharm Biomed Anal. 2009 Jul 12;49(5):1296-302. doi: 10.1016/j.jpba.2009.03.006. Epub 2009 Mar 20. [PubMed:19359121 ]
Guo S, Duan JA, Tang Y, Qian D, Zhu Z, Qian Y, Shang E, Su S: UHPLC-TOFMS coupled with chemometric method as a powerful technique for rapid exploring of differentiating components between two Ziziphus species. J Sep Sci. 2011 Mar;34(6):659-66. doi: 10.1002/jssc.201000788. Epub 2011 Jan 31. [PubMed:21284082 ]
Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A: Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana. Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7. doi: 10.1248/cpb.54.535. [PubMed:16595959 ]
Lee SM, Park JG, Lee YH, Lee CG, Min BS, Kim JH, Lee HK: Anti-complementary activity of triterpenoides from fruits of Zizyphus jujuba. Biol Pharm Bull. 2004 Nov;27(11):1883-6. doi: 10.1248/bpb.27.1883. [PubMed:15516743 ]
LOTUS database [Link]

Showing NP-Card for (1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid (NP0144923)

MOL for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

3D MOL for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

3D SDF for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

3D-SDF for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

PDB for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

3D PDB for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

SMILES for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

INCHI for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

Structure for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)

3D Structure for NP0144923 ((1r,2r,5s,8r,9r,10r,13s,14s,18s)-15-formyl-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icos-15-ene-5-carboxylic acid)