NP-MRD: Showing NP-Card for (7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate (NP0263196)

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Record Information

Version

2.0

Created at

2022-09-08 06:18:00 UTC

Updated at

2022-09-08 06:18:01 UTC

NP-MRD ID

NP0263196

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Description

(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate is found in Salinispora arenicola. Based on a literature review very few articles have been published on 6998-60-3.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082208182D          

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M  END

     RDKit          3D

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 30 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  6
 35 75  1  0
 35 76  1  0
 35 77  1  0
 36 78  1  1
 37 79  1  0
 38 80  1  1
 39 81  1  0
 39 82  1  0
 39 83  1  0
 40 84  1  6
 41 85  1  0
 42 86  1  1
 43 87  1  0
 43 88  1  0
 43 89  1  0
 44 90  1  6
 47 91  1  0
 47 92  1  0
 47 93  1  0
 49 94  1  1
 50 95  1  0
 50 96  1  0
 50 97  1  0
M  END


  Mrv1652309082208182D          

 50 53  0  0  1  0            999 V2000
    1.6207   -1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315   -1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051   -0.6841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9627   -0.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3233    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7498    0.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937    1.7234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1961    2.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    1.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643    1.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2852    2.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1099    2.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8955    3.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3511    4.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1725    4.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0354    4.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211    4.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9014    4.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5871    2.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626    2.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363    3.1040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8466    5.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    5.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221    6.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5126    4.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9276    5.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1814    4.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6702    3.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9190    2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9536    2.0157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7753    1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7719    1.2075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5464    0.9230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3873    0.4739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0617   -0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258   -0.1352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3543   -0.7687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261   -0.5781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4726   -1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3361   -0.8249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4776   -1.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2522   -1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853   -1.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3937   -2.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5109   -0.8595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4398   -1.6815    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  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  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  2  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 18  1  4  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  0  0  0  0
 44 45  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 44 49  1  0  0  0  0
  3 49  1  0  0  0  0
 49 50  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0263196

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1C=CO[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(C=C(O)C4=C3C2=O)N=C(O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

> <INCHI_IDENTIFIER>
InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10-,14-13-,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

> <INCHI_KEY>
HJYYPODYNSCCOU-WURVRSKISA-N

> <FORMULA>
C37H47NO12

> <MOLECULAR_WEIGHT>
697.778

> <EXACT_MASS>
697.309825957

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
73.743993907741

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,23,25(29),26-nonaen-13-yl acetate

> <JCHEM_LOGP>
4.439338005371386

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.160333961620205

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.9030898782130592

> <JCHEM_PKA_STRONGEST_BASIC>
15.280931017298022

> <JCHEM_POLAR_SURFACE_AREA>
204.79999999999998

> <JCHEM_REFRACTIVITY>
188.55330000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,23,25(29),26-nonaen-13-yl acetate

> <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       3.025  -3.014   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.539  -2.730   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.050  -1.277   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.664  -0.587   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.470   0.425   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.400   1.610   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.295   3.217   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.366   4.445   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.746   2.702   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.781   3.826   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.347   3.721   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.063   2.358   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.132   5.045   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.672   5.006   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.405   6.427   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.255   7.723   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.789   7.580   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.666   9.141   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.100   9.206   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.213   7.983   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.683   8.157   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.826   6.536   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.963   5.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.424   4.792   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.255   5.794   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0       7.180   9.699   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       8.763   9.780   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.001  11.301   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      10.290   9.202   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.065  10.533   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.539   8.166   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.451   6.789   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.915   5.312   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.980   3.763   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.514   3.625   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      12.641   2.254   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      14.087   1.723   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      11.923   0.885   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.182  -0.002   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.875  -0.252   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      11.861  -1.435   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       9.569  -1.079   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.216  -2.477   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.094  -1.540   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       8.358  -3.057   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       9.804  -3.587   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      10.986  -2.600   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      10.068  -5.104   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       6.554  -1.604   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       6.421  -3.139   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   49                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   24                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   23                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   22                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   26                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   15   23                                                  
CONECT   23   22   10   24                                                  
CONECT   24   23    7   25                                                  
CONECT   25   24                                                            
CONECT   26   18   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   49                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   44    3   50                                                  
CONECT   50   49                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₄₇NO₁₂

Average Mass

697.7780 Da

Monoisotopic Mass

697.30983 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CO[C@H]1C=CO[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(C=C(O)C4=C3C2=O)N=C(O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

InChI Identifier

InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10-,14-13-,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

InChI Key

HJYYPODYNSCCOU-WURVRSKISA-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
Salinispora arenicola	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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

24958944

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5282048

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate (NP0263196)

MOL for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

3D MOL for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

3D SDF for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

3D-SDF for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

PDB for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

3D PDB for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

SMILES for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

INCHI for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

Structure for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)

3D Structure for NP0263196 ((7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-13-yl acetate)