NP-MRD: Showing NP-Card for (1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one (NP0217933)

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Record Information

Version

2.0

Created at

2022-09-05 18:25:54 UTC

Updated at

2022-09-05 18:25:54 UTC

NP-MRD ID

NP0217933

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one

Description

(1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one is found in Pseudonocardia carboxydivorans. Based on a literature review very few articles have been published on (1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17Z)-15-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]Octadeca-9,17-dien-13-one.

Structure

MOL SDF PDB SMILES InChI

Branimycin C
  Mrv1652301062102122D          

 33 36  0  0  0  0            999 V2000
   -1.3056   -3.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -2.7718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1877   -2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0445   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0625    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6500    1.4290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1751    0.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3001    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1251    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969   -0.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0445   -1.2448    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1877   -2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0003   -2.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752   -2.7718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -3.8789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -4.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.1165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590   -0.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4734   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880   -0.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7280   -0.9547    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 13 16  1  1  0  0  0
 12 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 20  1  6  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  1  0  0  0
 21 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
  4 33  1  0  0  0  0
 25  2  1  0  0  0  0
 10  5  1  0  0  0  0
  5 15  1  6  0  0  0
 14  9  1  0  0  0  0
M  END

Branimycin C
  Mrv1652301062102122D          

 33 36  0  0  0  0            999 V2000
   -1.3056   -3.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -2.7718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1877   -2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0445   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0625    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6500    1.4290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1751    0.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3001    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1251    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969   -0.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0445   -1.2448    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1877   -2.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0003   -2.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752   -2.7718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -3.8789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -4.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.1165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7590   -0.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4734   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880   -0.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7280   -0.9547    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 13 16  1  1  0  0  0
 12 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 20  1  6  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  1  0  0  0
 21 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
  4 33  1  0  0  0  0
 25  2  1  0  0  0  0
 10  5  1  0  0  0  0
  5 15  1  6  0  0  0
 14  9  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0217933

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC[C@H]1[C@@H](O)[C@@H]2O[C@]34[C@@H]([C@H]2C=C[C@@H]3[C@@H](COC)C(=O)O[C@H]([C@H](O)CO)[C@H](C)\C=C4\C)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H36O9/c1-11-7-12(2)24-16(14(9-30-3)23(29)32-21(11)17(26)8-25)6-5-13-18(24)19(27)15(10-31-4)20(28)22(13)33-24/h5-7,11,13-22,25-28H,8-10H2,1-4H3/b12-7-/t11-,13-,14-,15-,16-,17-,18+,19-,20-,21+,22-,24+/m1/s1

> <INCHI_KEY>
QXNYWMIZBZITLF-ALHFZCDESA-N

> <FORMULA>
C24H36O9

> <MOLECULAR_WEIGHT>
468.543

> <EXACT_MASS>
468.235932739

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
49.17643026133452

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17Z)-15-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0^{1,7}.0^{3,8}]octadeca-9,17-dien-13-one

> <ALOGPS_LOGP>
-0.10

> <JCHEM_LOGP>
-1.240574613666666

> <ALOGPS_LOGS>
-2.34

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.826400419120255

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.196745204500065

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9732053785072985

> <JCHEM_POLAR_SURFACE_AREA>
134.91000000000003

> <JCHEM_REFRACTIVITY>
118.79889999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17Z)-15-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0^{1,7}.0^{3,8}]octadeca-9,17-dien-13-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-JAN-21   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Branimycin C                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-JAN-21         0                                  
HETATM    1  C   UNK     0      -2.437  -6.354   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.447  -5.174   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.217  -3.840   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.950  -2.324   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.770  -1.334   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.770   1.334   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.540   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.080   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.850   1.334   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.080   2.667   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.540   2.667   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.194   1.273   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -3.850   4.001   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -5.390   1.334   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -6.160   2.667   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -7.700   2.667   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -3.914  -1.107   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.950  -2.324   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.217  -3.840   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.734  -4.108   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.447  -5.174   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.000  -5.701   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000  -7.241   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  -8.011   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.334  -9.551   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -1.334  -8.011   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.283  -1.554   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.617  -2.324   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.951  -1.554   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.226  -1.782   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   25                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   33                                                  
CONECT    5    4    6   10   15                                             
CONECT    6    5    7   21                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11    5                                                  
CONECT   11   10   12   20                                                  
CONECT   12   11   13   17                                                  
CONECT   13   12   14   16                                                  
CONECT   14   13   15    9                                                  
CONECT   15   14    5                                                       
CONECT   16   13                                                            
CONECT   17   12   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   11                                                            
CONECT   21    6   22   30                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26    2                                                  
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26                                                            
CONECT   30   21   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33    4                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₆O₉

Average Mass

468.5430 Da

Monoisotopic Mass

468.23593 Da

IUPAC Name

(1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17Z)-15-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0^{1,7}.0^{3,8}]octadeca-9,17-dien-13-one

Traditional Name

(1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17Z)-15-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0^{1,7}.0^{3,8}]octadeca-9,17-dien-13-one

CAS Registry Number

Not Available

SMILES

COC[C@H]1[C@@H](O)[C@@H]2O[C@]34[C@@H]([C@H]2C=C[C@@H]3[C@@H](COC)C(=O)O[C@H]([C@H](O)CO)[C@H](C)\C=C4\C)[C@@H]1O

InChI Identifier

InChI=1S/C24H36O9/c1-11-7-12(2)24-16(14(9-30-3)23(29)32-21(11)17(26)8-25)6-5-13-18(24)19(27)15(10-31-4)20(28)22(13)33-24/h5-7,11,13-22,25-28H,8-10H2,1-4H3/b12-7-/t11-,13-,14-,15-,16-,17-,18+,19-,20-,21+,22-,24+/m1/s1

InChI Key

QXNYWMIZBZITLF-ALHFZCDESA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Pseudonocardia carboxydivorans	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
logP	-0.1	ALOGPS
logP	-1.2	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	13.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	134.91 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	118.8 m³·mol⁻¹	ChemAxon
Polarizability	49.18 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one (NP0217933)

MOL for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

3D MOL for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

3D SDF for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

3D-SDF for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

PDB for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

3D PDB for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

SMILES for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

INCHI for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

Structure for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)

3D Structure for NP0217933 ((1s,3r,4r,5r,6r,7s,8r,11r,12s,15s,16r,17e)-15-[(1r)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.0¹,⁷.0³,⁸]octadeca-9,17-dien-13-one)