NP-MRD: Showing NP-Card for (2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate (NP0280564)

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Record Information

Version

2.0

Created at

2022-09-09 06:25:29 UTC

Updated at

2022-09-09 06:25:29 UTC

NP-MRD ID

NP0280564

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate

Description

Honulactone G belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions. (2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate is found in Strepsichordaia aliena. Based on a literature review very few articles have been published on Honulactone G.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092208252D          

 37 42  0  0  1  0            999 V2000
    4.7274    5.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 36  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309092208252D          

 37 42  0  0  1  0            999 V2000
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    7.3974    1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7738    1.0729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5038    0.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3773    1.2592    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1073    0.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2972    0.3237    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0272   -0.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7571    0.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0271    1.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691    2.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850    3.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6925    1.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9322    0.9632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4345    0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8372    1.8828    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2971    2.5065    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  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  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  6  0  0  0
 16 22  1  1  0  0  0
 22 23  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  6  0  0  0
 11 25  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  6  0  0  0
 30 36  1  0  0  0  0
  8 36  1  0  0  0  0
 25 36  1  0  0  0  0
 36 37  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0280564

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@@]4(C[C@@H]4C)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@H]3C)[C@@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C31H46O6/c1-16-15-31(16)10-7-9-28(4)20(31)8-11-29(5)21(28)14-23(37-24(34)12-17(2)32)30(6)22(29)13-19(33)25-18(3)36-27(35)26(25)30/h16-23,32-33H,7-15H2,1-6H3/t16-,17?,18-,19+,20+,21+,22-,23-,28-,29+,30+,31-/m0/s1

> <INCHI_KEY>
GMPQFFRAVQYLDF-BYSUTUGUSA-N

> <FORMULA>
C31H46O6

> <MOLECULAR_WEIGHT>
514.703

> <EXACT_MASS>
514.329439201

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
58.291517731783884

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,1'R,2S,2'S,4'R,6'S,10'S,11'S,13'R,14'R,19'R)-4'-hydroxy-1',2,6',10',14'-pentamethyl-8'-oxo-7'-oxaspiro[cyclopropane-1,18'-pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan]-5'(9')-en-11'-yl 3-hydroxybutanoate

> <JCHEM_LOGP>
4.1422064229999975

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.880093595989596

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.3856484561114

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6206837117286543

> <JCHEM_POLAR_SURFACE_AREA>
93.06000000000002

> <JCHEM_REFRACTIVITY>
139.3944

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,1'R,2S,2'S,4'R,6'S,10'S,11'S,13'R,14'R,19'R)-4'-hydroxy-1',2,6',10',14'-pentamethyl-8'-oxo-7'-oxaspiro[cyclopropane-1,18'-pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan]-5'(9')-en-11'-yl 3-hydroxybutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       8.824   9.626   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.312   9.335   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       6.304  10.499   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       6.808   7.880   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.296   7.589   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.288   8.753   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       4.792   6.134   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.800   4.970   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.312   5.261   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.321   4.097   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.817   2.642   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.313   1.186   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.825   1.478   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.337   1.769   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.841   3.224   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.353   3.515   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.857   4.970   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.849   6.134   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.337   5.843   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.833   4.388   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.825   5.552   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.808   3.011   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.644   2.003   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.140   0.547   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.304   2.351   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.800   0.895   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.288   0.604   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.784  -0.851   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.280   1.768   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.784   3.224   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.556   4.153   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.585   5.692   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       1.293   3.272   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.740   1.798   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.811   0.570   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.296   3.515   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.288   4.679   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   36                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   20                                                  
CONECT   11   10   12   13   25                                             
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17   22   23                                             
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   15   10   21                                             
CONECT   21   20                                                            
CONECT   22   16   23                                                       
CONECT   23   22   16   24                                                  
CONECT   24   23                                                            
CONECT   25   11   26   36                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   34                                                  
CONECT   30   29   31   36                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   29   35                                                  
CONECT   35   34                                                            
CONECT   36   30    8   25   37                                             
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₆O₆

Average Mass

514.7030 Da

Monoisotopic Mass

514.32944 Da

IUPAC Name

(1S,1'R,2S,2'S,4'R,6'S,10'S,11'S,13'R,14'R,19'R)-4'-hydroxy-1',2,6',10',14'-pentamethyl-8'-oxo-7'-oxaspiro[cyclopropane-1,18'-pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan]-5'(9')-en-11'-yl 3-hydroxybutanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@@]4(C[C@@H]4C)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@H]3C)[C@@]12C

InChI Identifier

InChI=1S/C31H46O6/c1-16-15-31(16)10-7-9-28(4)20(31)8-11-29(5)21(28)14-23(37-24(34)12-17(2)32)30(6)22(29)13-19(33)25-18(3)36-27(35)26(25)30/h16-23,32-33H,7-15H2,1-6H3/t16-,17?,18-,19+,20+,21+,22-,23-,28-,29+,30+,31-/m0/s1

InChI Key

GMPQFFRAVQYLDF-BYSUTUGUSA-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
Strepsichordaia aliena	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesterterpenoids

Direct Parent

Scalarane sesterterpenoids

Alternative Parents

Substituents

Scalarane sesterterpenoid
Steroid lactone
12-hydroxysteroid
Hydroxysteroid
Steroid
16-oxasteroid
Beta-hydroxy acid
Fatty acid ester
2-furanone
Dicarboxylic acid or derivatives
Fatty acyl
Hydroxy acid
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Lactone
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organooxygen compound
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	4.14	ChemAxon
pKa (Strongest Acidic)	12.39	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	139.39 m³·mol⁻¹	ChemAxon
Polarizability	58.29 Å³	ChemAxon
Number of Rings	6	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

8824852

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10649494

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate (NP0280564)

MOL for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

3D MOL for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

3D SDF for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

3D-SDF for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

PDB for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

3D PDB for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

SMILES for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

INCHI for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

Structure for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)

3D Structure for NP0280564 ((2's,3s,4r,5as,5br,7ar,8s,11ar,11br,13s,13as)-4-hydroxy-2',3,5b,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3h-spiro[chryseno[1,2-c]furan-8,1'-cyclopropan]-13-yl 3-hydroxybutanoate)