NP-MRD: Showing NP-Card for (1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one (NP0225835)

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Record Information

Version

2.0

Created at

2022-09-06 04:40:38 UTC

Updated at

2022-09-06 04:40:38 UTC

NP-MRD ID

NP0225835

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one

Description

6-Epi-Ophiobolin L belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Based on a literature review very few articles have been published on 6-epi-Ophiobolin L.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062206402D          

 30 34  0  0  1  0            999 V2000
    8.2310   -0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4061   -0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0052   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9820   -0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1571   -0.2571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6831   -0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8945   -0.6901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2350   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8811    0.1348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8677    0.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    1.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050    0.5266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2770    1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287    0.1467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0129   -0.6701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5086   -1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254   -1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -0.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007   -0.1329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0345   -2.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3022   -2.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459   -1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325   -0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521   -1.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368   -0.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.3970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5879    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    1.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615    0.4024    0.0000 O   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  2  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
  9 20  1  0  0  0  0
 12 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  1  0  0  0
  9 30  1  1  0  0  0
  5 30  1  0  0  0  0
M  END


  Mrv1652309062206402D          

 30 34  0  0  1  0            999 V2000
    8.2310   -0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4061   -0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0052   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9820   -0.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1571   -0.2571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6831   -0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8945   -0.6901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2350   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8811    0.1348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8677    0.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    1.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050    0.5266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2770    1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287    0.1467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0129   -0.6701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5086   -1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254   -1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -0.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007   -0.1329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0345   -2.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3022   -2.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459   -1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325   -0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521   -1.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368   -0.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.3970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5879    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    1.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615    0.4024    0.0000 O   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  2  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
  9 20  1  0  0  0  0
 12 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  1  0  0  0
  9 30  1  1  0  0  0
  5 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0225835

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C[C@@H](O[C@@]11CC[C@]2(C)C[C@H]3[C@@H]4\C(=C/C[C@@H]12)C(=O)OC4(O)C[C@@]3(C)O)C=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C25H36O5/c1-14(2)10-16-11-15(3)24(29-16)9-8-22(4)12-18-20-17(6-7-19(22)24)21(26)30-25(20,28)13-23(18,5)27/h6,10,15-16,18-20,27-28H,7-9,11-13H2,1-5H3/b17-6+/t15-,16-,18-,19+,20-,22+,23+,24-,25?/m0/s1

> <INCHI_KEY>
ABMVTHXMVSOQJZ-GSJGKKMLSA-N

> <FORMULA>
C25H36O5

> <MOLECULAR_WEIGHT>
416.558

> <EXACT_MASS>
416.256274259

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
47.10531263606178

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1'S,2S,3S,3'R,5R,7'R,15'R,16'R)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadecan]-9'-en-11'-one

> <JCHEM_LOGP>
3.8837705706666648

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.698362740213827

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.490500969277024

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981019906075314

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
114.62150000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1'S,2S,3S,3'R,5R,7'R,15'R,16'R)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadecan]-9'-en-11'-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      15.364  -1.751   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.825  -1.776   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.076  -3.122   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.033  -0.455   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.493  -0.480   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.608  -1.740   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.136  -1.288   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.905  -2.214   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.111   0.252   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.086   1.791   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.614   2.243   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.729   0.983   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.117   2.396   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.205   1.199   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.974   0.274   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.757  -1.251   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.683  -2.482   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.207  -2.698   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.438  -1.773   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.655  -0.248   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.798  -3.742   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.297  -5.199   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       2.326  -3.290   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.301  -1.750   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.844  -2.250   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.375  -0.519   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.260   0.741   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.097   1.751   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.510   2.261   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      10.568   0.751   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   30                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   20   30                                             
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   20                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   27                                                  
CONECT   16   15   17   24                                                  
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19    9   12                                                  
CONECT   21   17   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   16   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   15   28   29                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30    9    5                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₆O₅

Average Mass

416.5580 Da

Monoisotopic Mass

416.25627 Da

IUPAC Name

(1'S,2S,3S,3'R,5R,7'R,15'R,16'R)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadecan]-9'-en-11'-one

Traditional Name

(1'S,2S,3S,3'R,5R,7'R,15'R,16'R)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0^{3,7}.0^{13,16}]hexadecan]-9'-en-11'-one

CAS Registry Number

Not Available

SMILES

C[C@H]1C[C@@H](O[C@@]11CC[C@]2(C)C[C@H]3[C@@H]4\C(=C/C[C@@H]12)C(=O)OC4(O)C[C@@]3(C)O)C=C(C)C

InChI Identifier

InChI=1S/C25H36O5/c1-14(2)10-16-11-15(3)24(29-16)9-8-22(4)12-18-20-17(6-7-19(22)24)21(26)30-25(20,28)13-23(18,5)27/h6,10,15-16,18-20,27-28H,7-9,11-13H2,1-5H3/b17-6+/t15-,16-,18-,19+,20-,22+,23+,24-,25?/m0/s1

InChI Key

ABMVTHXMVSOQJZ-GSJGKKMLSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Sesquiterpenoid
Gamma butyrolactone
Cyclic alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Hemiacetal
Lactone
Carboxylic acid derivative
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carbonyl group
Hydrocarbon derivative
Alcohol
Organic oxygen compound
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	3.88	ChemAxon
pKa (Strongest Acidic)	11.49	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	114.62 m³·mol⁻¹	ChemAxon
Polarizability	47.11 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

8177561

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10001980

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,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one (NP0225835)

MOL for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

3D MOL for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

3D SDF for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

3D-SDF for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

PDB for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

3D PDB for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

SMILES for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

INCHI for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

Structure for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)

3D Structure for NP0225835 ((1's,2s,3s,3'r,5r,7'r,9'e,15'r,16'r)-13',15'-dihydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadecan]-9'-en-11'-one)