NP-MRD: Showing NP-Card for (11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one (NP0244984)

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Record Information

Version

1.0

Created at

2022-09-07 05:54:21 UTC

Updated at

2022-09-07 05:54:21 UTC

NP-MRD ID

NP0244984

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one

Description

(11S,21S)-5,11,16-trihydroxy-7,18-dimethyl-11,21-bis(propan-2-yl)pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]Docosa-1,3(12),4(9),5,7,13,15(20),16,18-nonaen-10-one belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. (11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one is found in Curcuma parviflora. Based on a literature review very few articles have been published on (11S,21S)-5,11,16-trihydroxy-7,18-dimethyl-11,21-bis(propan-2-yl)pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]Docosa-1,3(12),4(9),5,7,13,15(20),16,18-nonaen-10-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309072207542D          

 34 38  0  0  1  0            999 V2000
    7.3145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.8414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1577    2.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2392    2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072    1.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960    2.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1270   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
  6 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 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  1  0  0  0  0
 32 34  2  0  0  0  0
 27 34  1  0  0  0  0
 18 34  1  0  0  0  0
M  END


  Mrv1652309072207542D          

 34 38  0  0  1  0            999 V2000
    7.3145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.8414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1577    2.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2392    2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072    1.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0960    2.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1270   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
  6 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 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  1  0  0  0  0
 32 34  2  0  0  0  0
 27 34  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0244984

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@H]1CC2=C(C=C3C(=C2)C2=C(O)C=C(C)C=C2C(=O)[C@]3(O)C(C)C)C2=C(O)C=C(C)C=C12

> <INCHI_IDENTIFIER>
InChI=1S/C30H32O4/c1-14(2)19-11-18-12-22-24(13-20(18)27-21(19)7-16(5)9-25(27)31)30(34,15(3)4)29(33)23-8-17(6)10-26(32)28(22)23/h7-10,12-15,19,31-32,34H,11H2,1-6H3/t19-,30-/m0/s1

> <INCHI_KEY>
ONXOMXVQNMEKRS-ADSBAMQRSA-N

> <FORMULA>
C30H32O4

> <MOLECULAR_WEIGHT>
456.582

> <EXACT_MASS>
456.23005951

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
52.57923152302956

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(11S,21S)-5,11,16-trihydroxy-7,18-dimethyl-11,21-bis(propan-2-yl)pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,20}]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one

> <JCHEM_LOGP>
7.292976577999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.506164393534345

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.627111635223677

> <JCHEM_PKA_STRONGEST_BASIC>
-4.040008937449797

> <JCHEM_POLAR_SURFACE_AREA>
77.76

> <JCHEM_REFRACTIVITY>
136.46679999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(11S,21S)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,20}]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      13.654   0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.114   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.344  -0.564   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.804  -0.564   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       9.034  -1.897   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.034   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.804   2.104   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.344   2.104   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.034   3.437   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.804   4.771   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.494   3.437   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       7.761   4.954   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.047   3.964   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.867   2.974   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.779   5.481   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.724   2.104   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.184   2.104   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.184  -0.564   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.724  -0.564   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.494   0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.414  -1.897   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.874  -1.897   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.104  -3.231   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.564  -3.231   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.874  -4.565   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.746   0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.874   3.437   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   21                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7    2                                                       
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13   16                                             
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   34                                                  
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20   16    6                                                  
CONECT   22   19   23                                                       
CONECT   23   22   24   27                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   23   28   34                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   27   18                                                  
MASTER        0    0    0    0    0    0    0    0   34    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₂O₄

Average Mass

456.5820 Da

Monoisotopic Mass

456.23006 Da

IUPAC Name

(11S,21S)-5,11,16-trihydroxy-7,18-dimethyl-11,21-bis(propan-2-yl)pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,20}]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one

Traditional Name

(11S,21S)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{15,20}]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one

CAS Registry Number

Not Available

SMILES

CC(C)[C@@H]1CC2=C(C=C3C(=C2)C2=C(O)C=C(C)C=C2C(=O)[C@]3(O)C(C)C)C2=C(O)C=C(C)C=C12

InChI Identifier

InChI=1S/C30H32O4/c1-14(2)19-11-18-12-22-24(13-20(18)27-21(19)7-16(5)9-25(27)31)30(34,15(3)4)29(33)23-8-17(6)10-26(32)28(22)23/h7-10,12-15,19,31-32,34H,11H2,1-6H3/t19-,30-/m0/s1

InChI Key

ONXOMXVQNMEKRS-ADSBAMQRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Curcuma parviflora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Not Available

Direct Parent

Phenanthrenes and derivatives

Alternative Parents

Substituents

Phenanthrene
1-naphthol
Naphthalene
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Acyloin
Tertiary alcohol
Ketone
Polyol
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	7.29	ChemAxon
pKa (Strongest Acidic)	8.63	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	136.47 m³·mol⁻¹	ChemAxon
Polarizability	52.58 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

163014176

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one (NP0244984)

MOL for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

3D MOL for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

3D SDF for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

3D-SDF for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

PDB for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

3D PDB for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

SMILES for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

INCHI for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

Structure for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)

3D Structure for NP0244984 ((11s,21s)-5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one)