NP-MRD: Showing NP-Card for (1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate (NP0267903)

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Record Information

Version

2.0

Created at

2022-09-08 12:50:18 UTC

Updated at

2022-09-08 12:50:18 UTC

NP-MRD ID

NP0267903

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate

Description

(10Beta)-8beta,9alpha-Dihydroxy-10-methoxy-10-deoxyryanodol 3-(1H-pyrrole-2-carboxylate) belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate is found in Ryania speciosa. Based on a literature review very few articles have been published on (10beta)-8beta,9alpha-Dihydroxy-10-methoxy-10-deoxyryanodol 3-(1H-pyrrole-2-carboxylate).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082214502D          

 38 43  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309082214502D          

 38 43  0  0  1  0            999 V2000
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    3.0564    3.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945    2.1866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -0.5850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1783   -1.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0286    0.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3852   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598   -0.9224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9172   -1.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  6  0  0  0
  4  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  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
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 18 17  1  6  0  0  0
  3 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  1  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 32 37  1  0  0  0  0
 15 37  1  0  0  0  0
 19 37  1  0  0  0  0
 37 38  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0267903

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1[C@@]23O[C@@]4(O)C[C@@](C)([C@@]2(O)C[C@H](O)[C@@]1(C)O)[C@]1(O)[C@H](OC(=O)C2=CC=CN2)[C@](O)(C(C)C)[C@@]4(C)[C@]31O

> <INCHI_IDENTIFIER>
InChI=1S/C26H37NO11/c1-12(2)23(33)17(37-15(29)13-8-7-9-27-13)24(34)18(3)11-22(32)20(23,5)26(24,35)25(38-22)16(36-6)19(4,30)14(28)10-21(18,25)31/h7-9,12,14,16-17,27-28,30-35H,10-11H2,1-6H3/t14-,16-,17+,18-,19+,20-,21-,22-,23+,24+,25+,26+/m0/s1

> <INCHI_KEY>
HHMHQQMOGMCRFI-XUJPOHQMSA-N

> <FORMULA>
C26H37NO11

> <MOLECULAR_WEIGHT>
539.578

> <EXACT_MASS>
539.236661015

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
21.776119254208766

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3R,4S,6S,7S,9S,10S,11S,12R,13S,14R)-3,4,6,9,11,13,14-heptahydroxy-2-methoxy-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate

> <JCHEM_LOGP>
-1.5620187666666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.82714635904023

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.214298892729973

> <JCHEM_PKA_STRONGEST_BASIC>
-3.312169036177262

> <JCHEM_POLAR_SURFACE_AREA>
202.15999999999997

> <JCHEM_REFRACTIVITY>
126.66009999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3R,4S,6S,7S,9S,10S,11S,12R,13S,14R)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       9.650   2.791   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       8.532   1.732   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.890   0.234   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.450  -0.074   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.968   0.186   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      10.470   1.466   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      10.989  -1.544   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      12.487  -1.903   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.834  -2.618   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.282  -2.223   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.569  -3.736   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.959  -3.175   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.117  -4.190   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.217  -4.558   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.474  -3.158   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.137  -3.923   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       6.778  -2.051   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.638  -0.744   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.976  -0.536   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.534   0.939   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.692  -1.930   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.542  -2.954   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.602  -0.527   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.010   0.958   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.927   2.054   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.438   1.664   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       4.335   3.539   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.373   4.741   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.220   6.028   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.705   5.620   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0       5.776   4.082   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       3.163  -1.092   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.199  -2.294   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.250   0.148   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.920   1.653   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.719  -0.022   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.592  -1.722   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.579  -2.882   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   18                                                  
CONECT    4    3    5    6    7                                             
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    4    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12   18                                             
CONECT   11   10                                                            
CONECT   12   10   13   14   21                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17   37                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17    3   10   19                                             
CONECT   19   18   20   21   37                                             
CONECT   20   19                                                            
CONECT   21   19   12   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   32                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   31                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   27                                                       
CONECT   32   23   33   34   37                                             
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   32   15   19   38                                             
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Value	Source
(10b)-8b,9a-Dihydroxy-10-methoxy-10-deoxyryanodol 3-(1H-pyrrole-2-carboxylate)	Generator
(10b)-8b,9a-Dihydroxy-10-methoxy-10-deoxyryanodol 3-(1H-pyrrole-2-carboxylic acid)	Generator
(10beta)-8beta,9alpha-Dihydroxy-10-methoxy-10-deoxyryanodol 3-(1H-pyrrole-2-carboxylic acid)	Generator
(10Β)-8β,9α-dihydroxy-10-methoxy-10-deoxyryanodol 3-(1H-pyrrole-2-carboxylate)	Generator
(10Β)-8β,9α-dihydroxy-10-methoxy-10-deoxyryanodol 3-(1H-pyrrole-2-carboxylic acid)	Generator

Chemical Formula

C₂₆H₃₇NO₁₁

Average Mass

539.5780 Da

Monoisotopic Mass

539.23666 Da

IUPAC Name

(1R,2S,3R,4S,6S,7S,9S,10S,11S,12R,13S,14R)-3,4,6,9,11,13,14-heptahydroxy-2-methoxy-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate

Traditional Name

(1R,2S,3R,4S,6S,7S,9S,10S,11S,12R,13S,14R)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate

CAS Registry Number

Not Available

SMILES

CO[C@@H]1[C@@]23O[C@@]4(O)C[C@@](C)([C@@]2(O)C[C@H](O)[C@@]1(C)O)[C@]1(O)[C@H](OC(=O)C2=CC=CN2)[C@](O)(C(C)C)[C@@]4(C)[C@]31O

InChI Identifier

InChI=1S/C26H37NO11/c1-12(2)23(33)17(37-15(29)13-8-7-9-27-13)24(34)18(3)11-22(32)20(23,5)26(24,35)25(38-22)16(36-6)19(4,30)14(28)10-21(18,25)31/h7-9,12,14,16-17,27-28,30-35H,10-11H2,1-6H3/t14-,16-,17+,18-,19+,20-,21-,22-,23+,24+,25+,26+/m0/s1

InChI Key

HHMHQQMOGMCRFI-XUJPOHQMSA-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
Ryania speciosa	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

Diterpenoid
Ryanodane diterpenoid
Pyrrole-2-carboxylic acid or derivatives
Oxepane
Cyclitol or derivatives
Monosaccharide
Oxane
Substituted pyrrole
Heteroaromatic compound
Cyclic alcohol
Pyrrole
Tertiary alcohol
Tetrahydrofuran
Carboxylic acid ester
Hemiacetal
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Polyol
Oxacycle
Azacycle
Ether
Dialkyl ether
Organoheterocyclic compound
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Alcohol
Organopnictogen compound
Hydrocarbon derivative
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	-1.6	ChemAxon
pKa (Strongest Acidic)	11.21	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	202.16 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	126.66 m³·mol⁻¹	ChemAxon
Polarizability	21.78 Å³	ChemAxon
Number of Rings	6	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

101177508

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate (NP0267903)

MOL for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D MOL for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D SDF for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D-SDF for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

PDB for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D PDB for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

SMILES for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

INCHI for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

Structure for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)

3D Structure for NP0267903 ((1r,2s,3r,4s,6s,7s,9s,10s,11s,12r,13s,14r)-3,4,6,9,11,13,14-heptahydroxy-11-isopropyl-2-methoxy-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate)