NP-MRD: Showing NP-Card for (1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid (NP0195057)

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Record Information

Version

2.0

Created at

2022-09-04 12:50:37 UTC

Updated at

2022-09-04 12:50:37 UTC

NP-MRD ID

NP0195057

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid

Description

[(1'S,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]Icosan]-18'-en-14'-yl]oxidanesulfonic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid is found in Dracaena angustifolia. Based on a literature review very few articles have been published on [(1'S,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]Icosan]-18'-en-14'-yl]oxidanesulfonic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042214502D          

 36 41  0  0  1  0            999 V2000
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  2  1  1  1  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309042214502D          

 36 41  0  0  1  0            999 V2000
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   11.3512   -3.0662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9810   -3.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5276   -3.1142    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1573   -3.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3337   -3.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8804   -3.2101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4351   -3.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0648   -3.0857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3319   -3.4645    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2076   -4.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  6  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 21 27  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 12 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 11 32  1  0  0  0  0
 32 33  1  1  0  0  0
 34 32  1  1  0  0  0
  9 34  1  0  0  0  0
 34 35  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0195057

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4[C@H](CC[C@]23C)[C@@]2(C)[C@@H](C[C@H](O)CC2=CC4=O)OS(O)(=O)=O)O[C@]11CC[C@H](C)CO1

> <INCHI_IDENTIFIER>
InChI=1S/C27H40O8S/c1-14-5-8-27(33-13-14)15(2)24-21(34-27)12-19-23-18(6-7-25(19,24)3)26(4)16(10-20(23)29)9-17(28)11-22(26)35-36(30,31)32/h10,14-15,17-19,21-24,28H,5-9,11-13H2,1-4H3,(H,30,31,32)/t14-,15-,17+,18-,19-,21-,22+,23+,24-,25-,26-,27+/m0/s1

> <INCHI_KEY>
KVYZAZWVYLVNAH-NDKQZAJMSA-N

> <FORMULA>
C27H40O8S

> <MOLECULAR_WEIGHT>
524.67

> <EXACT_MASS>
524.244389422

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
56.814500839684975

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1'S,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-14'-yl]oxidanesulfonic acid

> <JCHEM_LOGP>
1.6893217982259843

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.096102328928584

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.4595993767160236

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7522476935235476

> <JCHEM_POLAR_SURFACE_AREA>
119.36

> <JCHEM_REFRACTIVITY>
132.37359999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1'S,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-14'-yloxidanesulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       8.032  -6.134   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.552  -5.884   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.095  -4.443   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.615  -4.193   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.591  -5.384   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      12.048  -6.825   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      10.528  -7.075   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      13.282  -4.008   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      14.805  -4.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.173  -3.533   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.268  -4.616   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.805  -4.526   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      19.497  -3.150   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      18.650  -1.864   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      21.034  -3.061   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      21.880  -4.347   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      23.418  -4.258   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.264  -5.545   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      25.801  -5.455   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      23.573  -6.921   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      22.035  -7.010   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      21.344  -8.386   0.000  0.00  0.00           O+0
HETATM   23  S   UNK     0      22.190  -9.673   0.000  0.00  0.00           S+0
HETATM   24  O   UNK     0      23.477  -8.827   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      23.036 -10.960   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      20.903 -10.519   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      21.189  -5.724   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      20.498  -7.100   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      19.652  -5.813   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      18.960  -7.189   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      17.423  -7.279   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.577  -5.992   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      15.746  -7.289   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.054  -5.760   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      13.686  -6.467   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.454  -7.989   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    8   35                                             
CONECT    6    5    7                                                       
CONECT    7    6    2                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   34                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   32                                                  
CONECT   12   11   13   29                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   27                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23                                                            
CONECT   27   21   16   28   29                                             
CONECT   28   27                                                            
CONECT   29   27   12   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   11   33   34                                             
CONECT   33   32                                                            
CONECT   34   32    9   35                                                  
CONECT   35   34    5   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Value	Source
[(1's,2R,2's,4's,5S,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-Hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0,.0,.0,]icosan]-18'-en-14'-yl]oxidanesulfonate	Generator
[(1's,2R,2's,4's,5S,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-Hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0,.0,.0,]icosan]-18'-en-14'-yl]oxidanesulphonate	Generator
[(1's,2R,2's,4's,5S,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-Hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0,.0,.0,]icosan]-18'-en-14'-yl]oxidanesulphonic acid	Generator

Chemical Formula

C₂₇H₄₀O₈S

Average Mass

524.6700 Da

Monoisotopic Mass

524.24439 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4[C@H](CC[C@]23C)[C@@]2(C)[C@@H](C[C@H](O)CC2=CC4=O)OS(O)(=O)=O)O[C@]11CC[C@H](C)CO1

InChI Identifier

InChI=1S/C27H40O8S/c1-14-5-8-27(33-13-14)15(2)24-21(34-27)12-19-23-18(6-7-25(19,24)3)26(4)16(10-20(23)29)9-17(28)11-22(26)35-36(30,31)32/h10,14-15,17-19,21-24,28H,5-9,11-13H2,1-4H3,(H,30,31,32)/t14-,15-,17+,18-,19-,21-,22+,23+,24-,25-,26-,27+/m0/s1

InChI Key

KVYZAZWVYLVNAH-NDKQZAJMSA-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
Dracaena angustifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Spirostane skeleton
Sulfated steroid skeleton
3-hydroxy-delta-5-steroid
3-hydroxysteroid
Hydroxysteroid
Oxosteroid
3-beta-hydroxy-delta-5-steroid
3-beta-hydroxysteroid
7-oxosteroid
Delta-5-steroid
Steroid
Cyclohexenone
Ketal
Sulfuric acid ester
Alkyl sulfate
Oxane
Sulfuric acid monoester
Sulfate-ester
Organic sulfuric acid or derivatives
Cyclic alcohol
Tetrahydrofuran
Secondary alcohol
Ketone
Oxacycle
Acetal
Organoheterocyclic compound
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Carbonyl group
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

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

163096726

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid (NP0195057)

MOL for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

3D MOL for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

3D SDF for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

3D-SDF for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

PDB for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

3D PDB for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

SMILES for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

INCHI for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

Structure for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)

3D Structure for NP0195057 ((1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,14'r,16'r)-16'-hydroxy-5,7',9',13'-tetramethyl-20'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yloxidanesulfonic acid)