NP-MRD: Showing NP-Card for (1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid (NP0207626)

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Record Information

Version

2.0

Created at

2022-09-05 04:18:46 UTC

Updated at

2022-09-05 04:18:47 UTC

NP-MRD ID

NP0207626

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

Description

3-Oxo-22alpha-hydroxyurs-12-ene-27,28-dioic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid is found in Uncaria hirsuta. Based on a literature review very few articles have been published on 3-Oxo-22alpha-hydroxyurs-12-ene-27,28-dioic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052206182D          

 36 40  0  0  1  0            999 V2000
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  7 20  1  0  0  0  0
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  4 22  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309052206182D          

 36 40  0  0  1  0            999 V2000
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    1.1270   -5.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -5.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -6.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -5.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -5.2520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4517   -5.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.8230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1105   -3.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 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
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
  4 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  2 35  1  0  0  0  0
 35 36  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0207626

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C30H44O6/c1-16-15-22(32)29(24(33)34)13-14-30(25(35)36)18(23(29)17(16)2)7-8-20-27(5)11-10-21(31)26(3,4)19(27)9-12-28(20,30)6/h7,16-17,19-20,22-23,32H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,17+,19+,20-,22+,23+,27+,28-,29-,30-/m1/s1

> <INCHI_KEY>
UYBXAQMZXHETFV-ZPPUMIHBSA-N

> <FORMULA>
C30H44O6

> <MOLECULAR_WEIGHT>
500.676

> <EXACT_MASS>
500.313789137

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
55.651303830018506

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,4S,4aS,6aR,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a,6a-dicarboxylic acid

> <JCHEM_LOGP>
5.106214647333331

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.754771077097249

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.101357193146433

> <JCHEM_PKA_STRONGEST_BASIC>
-3.049209573968713

> <JCHEM_POLAR_SURFACE_AREA>
111.9

> <JCHEM_REFRACTIVITY>
136.1084

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,4S,4aS,6aR,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

> <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       2.874  -5.803   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.104  -7.136   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.874  -8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.414  -8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.184  -7.136   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.724  -7.136   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.494  -8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.034  -8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.264  -7.136   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.804  -7.136   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.344  -7.136   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.114  -8.470   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      13.654  -8.470   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      11.344  -9.804   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.791 -10.330   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.076 -11.320   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.804  -9.804   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.034 -11.137   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.494 -11.137   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.724  -9.804   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.885 -11.335   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.184  -9.804   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.954 -11.137   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.184 -12.471   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       7.200 -12.043   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.414 -11.137   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.874 -11.137   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.104  -9.804   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.334 -11.137   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.104 -12.471   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -0.206 -11.137   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.564  -9.804   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -0.843 -10.430   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.206  -8.470   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.564  -7.136   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.206  -5.803   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   35                                                  
CONECT    3    2    4   28                                                  
CONECT    4    3    5   22                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   20                                                  
CONECT    8    7    9   10   17                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14    8   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19    7   21   22                                             
CONECT   21   20                                                            
CONECT   22   20    4   23   26                                             
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   22   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27    3   29   32                                             
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   28   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34    2   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END

View in JSmol

Synonyms

Value	Source
3-oxo-22a-Hydroxyurs-12-ene-27,28-dioate	Generator
3-oxo-22a-Hydroxyurs-12-ene-27,28-dioic acid	Generator
3-oxo-22alpha-Hydroxyurs-12-ene-27,28-dioate	Generator
3-oxo-22Α-hydroxyurs-12-ene-27,28-dioate	Generator
3-oxo-22Α-hydroxyurs-12-ene-27,28-dioic acid	Generator

Chemical Formula

C₃₀H₄₄O₆

Average Mass

500.6760 Da

Monoisotopic Mass

500.31379 Da

IUPAC Name

(1S,2R,4S,4aS,6aR,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a,6a-dicarboxylic acid

Traditional Name

(1S,2R,4S,4aS,6aR,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C30H44O6/c1-16-15-22(32)29(24(33)34)13-14-30(25(35)36)18(23(29)17(16)2)7-8-20-27(5)11-10-21(31)26(3,4)19(27)9-12-28(20,30)6/h7,16-17,19-20,22-23,32H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,17+,19+,20-,22+,23+,27+,28-,29-,30-/m1/s1

InChI Key

UYBXAQMZXHETFV-ZPPUMIHBSA-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
Uncaria hirsuta	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
19-oxosteroid
Oxosteroid
Steroid
Beta-hydroxy acid
Dicarboxylic acid or derivatives
Hydroxy acid
Cyclic alcohol
Cyclic ketone
Secondary alcohol
Ketone
Carboxylic acid derivative
Carboxylic acid
Organic oxide
Alcohol
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
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	5.11	ChemAxon
pKa (Strongest Acidic)	4.1	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	111.9 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	136.11 m³·mol⁻¹	ChemAxon
Polarizability	55.65 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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

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

102480385

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid (NP0207626)

MOL for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

3D MOL for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

3D SDF for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

3D-SDF for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

PDB for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

3D PDB for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

SMILES for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

INCHI for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

Structure for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)

3D Structure for NP0207626 ((1s,2r,4s,4as,6ar,6br,8ar,12ar,12br,14bs)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,7,8,8a,11,12,12b,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid)