NP-MRD: Showing NP-Card for (1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol (NP0147198)

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Record Information

Version

2.0

Created at

2022-09-02 02:45:25 UTC

Updated at

2022-09-02 02:45:25 UTC

NP-MRD ID

NP0147198

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol

Description

Asticolorin A belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. (1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol is found in Aspergillus multicolor. Based on a literature review very few articles have been published on Asticolorin A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022204452D          

 40 47  0  0  1  0            999 V2000
    3.2414    4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 37  1  1  0  0  0
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 22 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309022204452D          

 40 47  0  0  1  0            999 V2000
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    0.6923    3.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772    4.1330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0279    2.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125    2.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270    2.8695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8125    3.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2414    2.4570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  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  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 10 17  2  0  0  0  0
 17 18  1  0  0  0  0
  8 18  2  0  0  0  0
 18 19  1  0  0  0  0
  5 19  2  0  0  0  0
 19 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
 26 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
  2 39  1  0  0  0  0
 40 37  1  1  0  0  0
  4 40  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0147198

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C[C@@H]2[C@@H]3[C@](C)(C1)C1=C(OC4=CC(C)=CC(O)=C14)[C@H](O)[C@@]3(O)OC1=CC3=C(C4=C(O3)C=C(C)C=C4O)C(C)=C21

> <INCHI_IDENTIFIER>
InChI=1S/C33H30O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30-31,34-37H,12H2,1-5H3/t17-,30+,31-,32+,33-/m0/s1

> <INCHI_KEY>
JCRLYBYVQJKZSH-FZDZXSKASA-N

> <FORMULA>
C33H30O7

> <MOLECULAR_WEIGHT>
538.596

> <EXACT_MASS>
538.199153306

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
60.51778847556625

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,16S,17S,27S,31R)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0^{2,14}.0^{4,12}.0^{5,10}.0^{18,26}.0^{20,25}.0^{27,31}]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol

> <ALOGPS_LOGP>
5.19

> <JCHEM_LOGP>
6.046628860333334

> <ALOGPS_LOGS>
-4.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.30589065672126

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.654324987970359

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5300127036207942

> <JCHEM_POLAR_SURFACE_AREA>
116.43000000000002

> <JCHEM_REFRACTIVITY>
150.0517

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.47e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,16S,17S,27S,31R)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0^{2,14}.0^{4,12}.0^{5,10}.0^{18,26}.0^{20,25}.0^{27,31}]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol

> <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       6.051   9.206   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.051   7.666   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.384   6.896   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.384   5.356   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.718   4.586   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.718   3.046   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.052   2.276   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.385   3.046   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.850   2.570   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      13.755   3.816   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.287   3.977   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.913   5.384   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.445   5.545   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.008   6.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.476   6.469   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      12.571   7.715   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.850   5.062   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.385   4.586   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.052   5.356   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.052   6.896   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       7.384   2.276   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.051   3.046   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.051   1.506   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.717   2.276   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.717   0.736   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.383   3.046   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.919   2.570   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.013   3.816   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.518   3.977   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.144   5.384   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.676   5.545   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.239   6.630   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.292   6.469   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.197   7.715   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.919   5.062   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.383   4.586   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.717   5.356   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.383   6.126   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.717   6.896   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.051   4.586   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   40                                                  
CONECT    5    4    6   19                                                  
CONECT    6    5    7   21                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   18                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   17                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   10   18                                                  
CONECT   18   17    8   19                                                  
CONECT   19   18    5   20                                                  
CONECT   20   19                                                            
CONECT   21    6   22                                                       
CONECT   22   21   23   24   40                                             
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   36                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   35                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   28   36                                                  
CONECT   36   35   26   37                                                  
CONECT   37   36   38   39   40                                             
CONECT   38   37                                                            
CONECT   39   37    2                                                       
CONECT   40   37    4   22                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₀O₇

Average Mass

538.5960 Da

Monoisotopic Mass

538.19915 Da

IUPAC Name

(1R,16S,17S,27S,31R)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0^{2,14}.0^{4,12}.0^{5,10}.0^{18,26}.0^{20,25}.0^{27,31}]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol

Traditional Name

CAS Registry Number

Not Available

SMILES

CC1=C[C@@H]2[C@@H]3[C@](C)(C1)C1=C(OC4=CC(C)=CC(O)=C14)[C@H](O)[C@@]3(O)OC1=CC3=C(C4=C(O3)C=C(C)C=C4O)C(C)=C21

InChI Identifier

InChI=1S/C33H30O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30-31,34-37H,12H2,1-5H3/t17-,30+,31-,32+,33-/m0/s1

InChI Key

JCRLYBYVQJKZSH-FZDZXSKASA-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
Aspergillus multicolor	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthenes

Alternative Parents

Substituents

Xanthene
Dibenzofuran
Naphthofuran
Benzofuran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Heteroaromatic compound
Furan
Secondary alcohol
Hemiacetal
Oxacycle
Polyol
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	5.19	ALOGPS
logP	6.05	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	8.65	ChemAxon
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	116.43 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	150.05 m³·mol⁻¹	ChemAxon
Polarizability	60.52 Å³	ChemAxon
Number of Rings	8	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

C00055143

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

101982326

PDB ID

Not Available

ChEBI ID

175977

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol (NP0147198)

MOL for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

3D MOL for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

3D SDF for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

3D-SDF for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

PDB for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

3D PDB for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

SMILES for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

INCHI for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

Structure for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)

3D Structure for NP0147198 ((1r,16s,17s,27s,31r)-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaene-6,16,17,24-tetrol)