NP-MRD: Showing NP-Card for (1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one (NP0212575)

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Record Information

Version

2.0

Created at

2022-09-05 11:16:51 UTC

Updated at

2022-09-05 11:16:51 UTC

NP-MRD ID

NP0212575

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one

Description

Brefeldin C belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one was first documented in 2006 (PMID: 16484231). Based on a literature review a small amount of articles have been published on Brefeldin C (PMID: 19801865) (PMID: 27067647) (PMID: 31359455).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
    3.9635    0.4312   -0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4606    0.2562   -0.3518 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1634   -1.2015   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -1.6700    1.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538   -2.6782    0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0082   -2.7007   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700   -1.8917   -0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679   -0.9004    0.1351 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0406   -1.1428    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7108    0.1501   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    0.8242   -1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3791    0.4649   -0.5267 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8844    1.4701    0.4898 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9573    1.8652    1.3306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    2.6736   -0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357    3.0266    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8656    2.2979    0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870    3.0126    1.8034 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1016    0.9344    0.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010   -0.2424    0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382    1.4734   -0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2808    0.2505   -1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945    0.7237   -1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261   -1.4367   -1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656   -1.7928   -0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5603   -2.1209    1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3985   -0.7717    1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199   -3.6934    1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926   -2.5739    1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3633   -3.3933   -1.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3704   -1.9244   -1.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992   -0.8585    1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3649   -1.8997   -0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4192   -1.4421    1.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6826   -0.0228   -0.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9003    0.7333    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8747    1.9273   -1.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    0.4408   -2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6593    0.4266   -1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1698    0.9853    1.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2471    2.7804    1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529    3.2594   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786    3.9504   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19  2  1  0
 12  8  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  7 31  1  0
  8 32  1  1
  9 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 11 37  1  0
 11 38  1  0
 12 39  1  6
 13 40  1  1
 14 41  1  0
 15 42  1  0
 16 43  1  0
M  END


  Mrv1652309052213162D          

 19 20  0  0  1  0            999 V2000
    6.9729    2.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2308    1.6904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5476    2.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6063    2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1810    3.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9231    3.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1223    2.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802    1.8940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6158    2.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0845    1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    0.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3215    1.0711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0465    0.5331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7331    0.9905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2449   -0.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0678   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3780    0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635    1.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1721    0.8675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  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  2  0  0  0  0
 17 19  1  0  0  0  0
  2 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0212575

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CCC\C=C/[C@@H]2CCC[C@H]2[C@H](O)\C=C/C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C16H24O3/c1-12-6-3-2-4-7-13-8-5-9-14(13)15(17)10-11-16(18)19-12/h4,7,10-15,17H,2-3,5-6,8-9H2,1H3/b7-4-,11-10-/t12-,13+,14+,15+/m0/s1

> <INCHI_KEY>
DDFOHHVPBOQQDW-QHGHZAPRSA-N

> <FORMULA>
C16H24O3

> <MOLECULAR_WEIGHT>
264.365

> <EXACT_MASS>
264.172544633

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
29.590560681259014

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,6S,11aS,14aR)-1-hydroxy-6-methyl-1H,4H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one

> <JCHEM_LOGP>
3.393934434666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.497525353170897

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0185813045196213

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
77.07929999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,6S,11aS,14aR)-1-hydroxy-6-methyl-1H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      13.016   3.828   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.631   3.155   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.355   4.018   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.465   5.555   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.805   5.745   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.190   6.418   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.695   4.208   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.310   3.535   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.883   4.114   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.891   2.936   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.705   1.629   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.200   1.999   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.553   0.995   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.835   1.849   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       7.924  -0.500   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.460  -0.609   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.039   0.818   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.265   2.149   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      11.521   1.619   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    8   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17    2                                                       
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₄O₃

Average Mass

264.3650 Da

Monoisotopic Mass

264.17254 Da

IUPAC Name

(1R,6S,11aS,14aR)-1-hydroxy-6-methyl-1H,4H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one

Traditional Name

(1R,6S,11aS,14aR)-1-hydroxy-6-methyl-1H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one

CAS Registry Number

Not Available

SMILES

C[C@H]1CCC\C=C/[C@@H]2CCC[C@H]2[C@H](O)\C=C/C(=O)O1

InChI Identifier

InChI=1S/C16H24O3/c1-12-6-3-2-4-7-13-8-5-9-14(13)15(17)10-11-16(18)19-12/h4,7,10-15,17H,2-3,5-6,8-9H2,1H3/b7-4-,11-10-/t12-,13+,14+,15+/m0/s1

InChI Key

DDFOHHVPBOQQDW-QHGHZAPRSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Lactone
Secondary alcohol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Carbonyl group
Alcohol
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	3.39	ChemAxon
pKa (Strongest Acidic)	14.5	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	77.08 m³·mol⁻¹	ChemAxon
Polarizability	29.59 Å³	ChemAxon
Number of Rings	2	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

4943707

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6439287

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Trisuwan K, Rukachaisirikul V, Sukpondma Y, Phongpaichit S, Preedanon S, Sakayaroj J: Lactone derivatives from the marine-derived fungus Penicillium sp. PSU-F44. Chem Pharm Bull (Tokyo). 2009 Oct;57(10):1100-2. doi: 10.1248/cpb.57.1100. [PubMed:19801865 ]
Hu ZF, Qin LL, Ding WJ, Liu Y, Ma ZJ: New analogues of brefeldin A from sediment-derived fungus Penicillium sp. DT-F29. Nat Prod Res. 2016 Oct;30(20):2311-5. doi: 10.1080/14786419.2016.1169414. Epub 2016 Apr 11. [PubMed:27067647 ]
Gnagi L, Martz SV, Meyer D, Scharer RM, Renaud P: A Short Synthesis of (+)-Brefeldin C through Enantioselective Radical Hydroalkynylation. Chemistry. 2019 Sep 6;25(50):11646-11649. doi: 10.1002/chem.201903392. Epub 2019 Aug 20. [PubMed:31359455 ]
Zeeh JC, Zeghouf M, Grauffel C, Guibert B, Martin E, Dejaegere A, Cherfils J: Dual specificity of the interfacial inhibitor brefeldin a for arf proteins and sec7 domains. J Biol Chem. 2006 Apr 28;281(17):11805-14. doi: 10.1074/jbc.M600149200. Epub 2006 Feb 16. [PubMed:16484231 ]
LOTUS database [Link]

Showing NP-Card for (1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one (NP0212575)

MOL for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

3D MOL for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

3D SDF for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

3D-SDF for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

PDB for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

3D PDB for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

SMILES for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

INCHI for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

Structure for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)

3D Structure for NP0212575 ((1r,6s,11as,14ar)-1-hydroxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one)