NP-MRD: Showing NP-Card for (2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate (NP0152269)

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Record Information

Version

2.0

Created at

2022-09-02 08:42:30 UTC

Updated at

2022-09-02 08:42:30 UTC

NP-MRD ID

NP0152269

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate

Description

(1R,2S,11S,14S,15R,18S,20R)-18-(acetyloxy)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]Docosa-4,6,8-trien-6-yl acetate belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. (2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate is found in Stypopodium flabelliforme. Based on a literature review very few articles have been published on (1R,2S,11S,14S,15R,18S,20R)-18-(acetyloxy)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]Docosa-4,6,8-trien-6-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022210422D          

 36 40  0  0  1  0            999 V2000
    8.4427   -1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8482   -0.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0463    0.2981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0555   -0.7316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4611   -0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2629    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2721    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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  9 10  1  0  0  0  0
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 18 19  1  0  0  0  0
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 19 20  1  1  0  0  0
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 34 35  1  1  0  0  0
 14 36  1  0  0  0  0
  9 36  1  0  0  0  0
M  END

     RDKit          3D

 80 84  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309022210422D          

 36 40  0  0  1  0            999 V2000
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   -0.1503   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782    0.1837    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8708   -0.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4653    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2579    0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2671    1.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1200    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    0.6413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7053    1.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    1.5566    0.0000 O   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 18 34  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  1  0  0  0
 14 36  1  0  0  0  0
  9 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0152269

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC[C@]2(C)OC4=C(C)C=C(OC(C)=O)C=C4C[C@@H]32)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C31H44O5/c1-18-15-22(34-19(2)32)16-21-17-25-30(7)12-9-23-28(4,5)26(35-20(3)33)11-13-29(23,6)24(30)10-14-31(25,8)36-27(18)21/h15-16,23-26H,9-14,17H2,1-8H3/t23-,24-,25-,26-,29-,30+,31-/m0/s1

> <INCHI_KEY>
GSOQDUALHDCWOK-DBQMAJNHSA-N

> <FORMULA>
C31H44O5

> <MOLECULAR_WEIGHT>
496.688

> <EXACT_MASS>
496.318874517

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
58.392049187729164

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,11S,14S,15R,18S,20R)-18-(acetyloxy)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4,6,8-trien-6-yl acetate

> <ALOGPS_LOGP>
6.40

> <JCHEM_LOGP>
6.382577801666665

> <ALOGPS_LOGS>
-7.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.855107407183561

> <JCHEM_POLAR_SURFACE_AREA>
61.83

> <JCHEM_REFRACTIVITY>
139.0917

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.26e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,11S,14S,15R,18S,20R)-18-(acetyloxy)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4,6,8-trien-6-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      15.760  -2.006   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.650  -0.938   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      15.020   0.556   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      13.170  -1.366   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      12.061  -0.298   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.431   1.197   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.321   2.265   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.691   3.760   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.841   1.838   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.471   0.343   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.581  -0.725   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.992  -0.084   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.882   0.984   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.252   2.478   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.622   3.973   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.142   3.546   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.663   3.119   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.293   1.624   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.403   0.556   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.512  -0.511   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.033  -0.938   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.553  -1.366   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.443  -0.298   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.964  -0.725   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.641  -2.108   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.280  -1.632   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.146   0.343   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.625  -0.084   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.735   0.984   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.215   0.556   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -2.365   2.478   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.224   1.838   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.704   2.265   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.813   1.197   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.183   2.692   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       8.732   2.906   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   36                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    5                                                       
CONECT   12   10   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15   16   36                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   34                                                  
CONECT   19   18   13   20   21                                             
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   34                                                  
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   27   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   18   23   35                                             
CONECT   35   34                                                            
CONECT   36   14    9                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END

View in JSmol

Synonyms

Value	Source
(1R,2S,11S,14S,15R,18S,20R)-18-(Acetyloxy)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.0,.0,.0,]docosa-4,6,8-trien-6-yl acetic acid	Generator

Chemical Formula

C₃₁H₄₄O₅

Average Mass

496.6880 Da

Monoisotopic Mass

496.31887 Da

IUPAC Name

(1R,2S,11S,14S,15R,18S,20R)-18-(acetyloxy)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4,6,8-trien-6-yl acetate

Traditional Name

(1R,2S,11S,14S,15R,18S,20R)-18-(acetyloxy)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.0^{2,11}.0^{4,9}.0^{15,20}]docosa-4,6,8-trien-6-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC[C@]2(C)OC4=C(C)C=C(OC(C)=O)C=C4C[C@@H]32)C1(C)C

InChI Identifier

InChI=1S/C31H44O5/c1-18-15-22(34-19(2)32)16-21-17-25-30(7)12-9-23-28(4,5)26(35-20(3)33)11-13-29(23,6)24(30)10-14-31(25,8)36-27(18)21/h15-16,23-26H,9-14,17H2,1-8H3/t23-,24-,25-,26-,29-,30+,31-/m0/s1

InChI Key

GSOQDUALHDCWOK-DBQMAJNHSA-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
Stypopodium flabelliforme	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthenes

Alternative Parents

Substituents

Naphthopyran
Xanthene
Naphthalene
Alkyl aryl ether
Dicarboxylic acid or derivatives
Pyran
Benzenoid
Carboxylic acid ester
Ether
Carboxylic acid derivative
Oxacycle
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	6.4	ALOGPS
logP	6.38	ChemAxon
logS	-7.3	ALOGPS
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	61.83 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	139.09 m³·mol⁻¹	ChemAxon
Polarizability	58.39 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

162897995

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate (NP0152269)

MOL for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

3D MOL for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

3D SDF for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

3D-SDF for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

PDB for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

3D PDB for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

SMILES for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

INCHI for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

Structure for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)

3D Structure for NP0152269 ((2s,4ar,4bs,6as,12as,12br,14ar)-2-(acetyloxy)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-yl acetate)