NP-MRD: Showing NP-Card for 24-Epi-acerinol (NP0066504)

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Record Information

Version

2.0

Created at

2022-04-28 10:45:44 UTC

Updated at

2022-04-28 10:45:45 UTC

NP-MRD ID

NP0066504

Secondary Accession Numbers

None

Natural Product Identification

Common Name

24-Epi-acerinol

Description

(1R,2R,3R,7S,9S,12S,17R,18R,19R,21R,22R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24,25-trioxaheptacyclo[19.2.1.1⁹,¹².0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹²]Pentacos-4(14)-en-2-ol belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 24-Epi-acerinol is found in Cimicifuga heracleifolia KOMAROV . Based on a literature review very few articles have been published on (1R,2R,3R,7S,9S,12S,17R,18R,19R,21R,22R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24,25-trioxaheptacyclo[19.2.1.1⁹,¹².0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹²]Pentacos-4(14)-en-2-ol.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304282212452D          

 35 41  0  0  1  0            999 V2000
    2.7584    2.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216    2.4490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3549    3.1095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6395    3.9417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2022    4.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316    4.3553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0257    3.4845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3254    3.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7025    4.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3733    5.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2223    5.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1826    4.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9165    4.3883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2434    3.9009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5091    3.1198    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0345    2.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438    2.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1094    3.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5664    4.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    4.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461    5.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2637    4.9542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5516    4.1549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9408    3.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539    3.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6848    3.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6378    4.7166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0177    5.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5313    5.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280    6.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5486    4.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452    2.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0666    4.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    5.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6705    1.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  6  0  0  0
  4  8  1  1  0  0  0
  6  9  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  6  0  0  0
 23 31  1  6  0  0  0
 15 32  1  6  0  0  0
 14 33  1  1  0  0  0
 13 34  1  1  0  0  0
  2 35  1  1  0  0  0
M  END


  Mrv1652304282212452D          

 35 41  0  0  1  0            999 V2000
    2.7584    2.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216    2.4490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3549    3.1095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6395    3.9417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2022    4.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316    4.3553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0257    3.4845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3254    3.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7025    4.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3733    5.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2223    5.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1826    4.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9165    4.3883    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2434    3.9009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5091    3.1198    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0345    2.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438    2.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1094    3.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5664    4.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    4.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461    5.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2637    4.9542    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5516    4.1549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9408    3.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539    3.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6848    3.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6378    4.7166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0177    5.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5313    5.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280    6.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5486    4.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452    2.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0666    4.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    5.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6705    1.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  6  0  0  0
  4  8  1  1  0  0  0
  6  9  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  6  0  0  0
 23 31  1  6  0  0  0
 15 32  1  6  0  0  0
 14 33  1  1  0  0  0
 13 34  1  1  0  0  0
  2 35  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0066504

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1C[C@H]2O[C@]3(O[C@H]2C(C)(C)O)[C@H](O)[C@@]2(C)C4=C(CC[C@]2(C)[C@@H]13)C[C@]12CC[C@H](O1)C(C)(C)[C@@H]2CC4

> <INCHI_IDENTIFIER>
InChI=1S/C30H46O5/c1-16-14-19-23(26(4,5)32)35-30(33-19)22(16)27(6)12-10-17-15-29-13-11-21(34-29)25(2,3)20(29)9-8-18(17)28(27,7)24(30)31/h16,19-24,31-32H,8-15H2,1-7H3/t16-,19-,20+,21+,22-,23-,24-,27-,28-,29+,30-/m1/s1

> <INCHI_KEY>
QSMBCFYTBUXTGE-UZPTXGSZSA-N

> <FORMULA>
C30H46O5

> <MOLECULAR_WEIGHT>
486.693

> <EXACT_MASS>
486.334524581

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
57.66237307205854

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,3R,7S,9S,12S,17R,18R,19R,21R,22R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24,25-trioxaheptacyclo[19.2.1.1^{9,12}.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}]pentacos-4(14)-en-2-ol

> <ALOGPS_LOGP>
4.61

> <JCHEM_LOGP>
4.351913151666665

> <ALOGPS_LOGS>
-5.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.252311185678046

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.781342674797656

> <JCHEM_PKA_STRONGEST_BASIC>
-3.132721870302179

> <JCHEM_POLAR_SURFACE_AREA>
68.15

> <JCHEM_REFRACTIVITY>
133.77700000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.22e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,3R,7S,9S,12S,17R,18R,19R,21R,22R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24,25-trioxaheptacyclo[19.2.1.1^{9,12}.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}]pentacos-4(14)-en-2-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       5.149   4.958   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.587   4.571   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.529   5.804   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.060   7.358   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.111   8.646   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.659   8.130   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.648   6.504   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.341   6.856   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       6.911   9.026   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.164   9.922   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.015  10.278   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.808   7.774   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.711   8.192   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.454   7.282   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.950   5.824   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.064   4.665   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.575   4.965   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.071   6.423   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.057   7.580   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.316   9.102   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.699   9.845   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.226   9.248   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.763   7.756   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.623   6.575   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.327   6.341   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.878   6.809   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.791   8.804   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -5.633   9.983   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -6.592  11.189   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -5.092  11.425   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -6.624   7.784   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.578   4.417   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.124   8.786   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       1.654   9.731   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.118   3.105   0.000  0.00  0.00           C+0
CONECT    1    2    7                                                       
CONECT    2    1    3   35                                                  
CONECT    3    2    4   15                                                  
CONECT    4    3    5    8   13                                             
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    1    8                                                  
CONECT    8    7    4                                                       
CONECT    9    6   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
CONECT   13    4   14   34                                                  
CONECT   14   13   15   19   33                                             
CONECT   15   14    3   16   32                                             
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   24                                                  
CONECT   19   18   14   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   28                                                  
CONECT   23   22   24   25   31                                             
CONECT   24   23   18                                                       
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   31                                                  
CONECT   28   27   22   29   30                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   27   23                                                       
CONECT   32   15                                                            
CONECT   33   14                                                            
CONECT   34   13                                                            
CONECT   35    2                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₆O₅

Average Mass

486.6930 Da

Monoisotopic Mass

486.33452 Da

IUPAC Name

(1R,2R,3R,7S,9S,12S,17R,18R,19R,21R,22R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24,25-trioxaheptacyclo[19.2.1.1^{9,12}.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}]pentacos-4(14)-en-2-ol

Traditional Name

(1R,2R,3R,7S,9S,12S,17R,18R,19R,21R,22R)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24,25-trioxaheptacyclo[19.2.1.1^{9,12}.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}]pentacos-4(14)-en-2-ol

CAS Registry Number

Not Available

SMILES

C[C@@H]1C[C@H]2O[C@]3(O[C@H]2C(C)(C)O)[C@H](O)[C@@]2(C)C4=C(CC[C@]2(C)[C@@H]13)C[C@]12CC[C@H](O1)C(C)(C)[C@@H]2CC4

InChI Identifier

InChI=1S/C30H46O5/c1-16-14-19-23(26(4,5)32)35-30(33-19)22(16)27(6)12-10-17-15-29-13-11-21(34-29)25(2,3)20(29)9-8-18(17)28(27,7)24(30)31/h16,19-24,31-32H,8-15H2,1-7H3/t16-,19-,20+,21+,22-,23-,24-,27-,28-,29+,30-/m1/s1

InChI Key

QSMBCFYTBUXTGE-UZPTXGSZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cimicifuga heracleifolia KOMAROV	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Ketal
Oxepane
Oxane
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Meta-dioxolane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Acetal
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	4.61	ALOGPS
logP	4.35	ChemAxon
logS	-5.2	ALOGPS
pKa (Strongest Acidic)	12.78	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	68.15 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	133.78 m³·mol⁻¹	ChemAxon
Polarizability	57.66 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

162932690

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 24-Epi-acerinol (NP0066504)

MOL for NP0066504 (24-Epi-acerinol)

3D MOL for NP0066504 (24-Epi-acerinol)

3D SDF for NP0066504 (24-Epi-acerinol)

3D-SDF for NP0066504 (24-Epi-acerinol)

PDB for NP0066504 (24-Epi-acerinol)

3D PDB for NP0066504 (24-Epi-acerinol)

SMILES for NP0066504 (24-Epi-acerinol)

INCHI for NP0066504 (24-Epi-acerinol)

Structure for NP0066504 (24-Epi-acerinol)

3D Structure for NP0066504 (24-Epi-acerinol)