NP-MRD: Showing NP-Card for (1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one (NP0300335)

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Record Information

Version

1.0

Created at

2022-09-10 12:40:51 UTC

Updated at

2022-09-10 12:40:51 UTC

NP-MRD ID

NP0300335

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one

Description

Jaborosalactone R belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton. (1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one is found in Jaborosa sativa. It was first documented in 1993 (PMID: 36137062). Based on a literature review a significant number of articles have been published on Jaborosalactone R (PMID: 22325549) (PMID: 36137063) (PMID: 36137748) (PMID: 16724841).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102214402D          

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 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 20 26  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  6  0  0  0
 16 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  9 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 28 33  1  0  0  0  0
 12 33  1  0  0  0  0
 33 34  1  6  0  0  0
  8 35  1  0  0  0  0
  2 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0300335

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(C)C(=O)O[C@H](C1)[C@H]1CO[C@@]2(O)C[C@H]3[C@@H](C[C@@H](O)C4=CC=CC(=O)[C@]34C)[C@@H]3CC[C@]1(O)[C@@]23C

> <INCHI_IDENTIFIER>
InChI=1S/C28H36O7/c1-14-10-22(35-24(31)15(14)2)20-13-34-28(33)12-19-16(17-8-9-27(20,32)26(17,28)4)11-21(29)18-6-5-7-23(30)25(18,19)3/h5-7,16-17,19-22,29,32-33H,8-13H2,1-4H3/t16-,17-,19-,20+,21+,22+,25-,26-,27+,28-/m0/s1

> <INCHI_KEY>
PXDXIMCPTJCYRN-LRZAAKMNSA-N

> <FORMULA>
C28H36O7

> <MOLECULAR_WEIGHT>
484.589

> <EXACT_MASS>
484.246103499

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
51.40999578553783

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,4R,10R,11S,13S,16R,17R,20S)-16-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0^{2,11}.0^{5,10}.0^{17,20}]icosa-5,7-dien-9-one

> <JCHEM_LOGP>
2.4370151633333323

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.86973769733746

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.575922117478077

> <JCHEM_PKA_STRONGEST_BASIC>
-2.989811264520328

> <JCHEM_POLAR_SURFACE_AREA>
113.29

> <JCHEM_REFRACTIVITY>
129.7788

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,4R,10R,11S,13S,16R,17R,20S)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0^{2,11}.0^{5,10}.0^{17,20}]icosa-5,7-dien-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.795  -2.525   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.555  -1.003   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.753  -0.035   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.190  -0.588   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.513   1.486   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.711   2.454   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -1.076   2.039   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.122   1.071   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.559   1.624   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.799   3.145   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.236   3.698   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.433   2.730   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.884   4.203   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.265   2.889   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.235   1.693   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.685   0.255   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.655  -0.941   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.176  -0.699   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.146  -1.895   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.726   0.739   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.247   0.981   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.798   2.419   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.828   3.615   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.307   3.373   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.337   4.569   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.756   1.935   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.786   3.131   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.164   0.013   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.326  -1.280   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.838  -0.882   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.756   0.656   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.385  -0.045   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       4.194   1.209   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.681   1.608   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.118  -0.450   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   35                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   35                                                  
CONECT    9    8   10   31                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   33                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   26                                                  
CONECT   16   15   17   28                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   26                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   20   15   27                                             
CONECT   27   26                                                            
CONECT   28   16   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30    9   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   28   12   34                                             
CONECT   34   33                                                            
CONECT   35    8    2                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₆O₇

Average Mass

484.5890 Da

Monoisotopic Mass

484.24610 Da

IUPAC Name

(1S,2R,4R,10R,11S,13S,16R,17R,20S)-16-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0^{2,11}.0^{5,10}.0^{17,20}]icosa-5,7-dien-9-one

Traditional Name

(1S,2R,4R,10R,11S,13S,16R,17R,20S)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0^{2,11}.0^{5,10}.0^{17,20}]icosa-5,7-dien-9-one

CAS Registry Number

Not Available

SMILES

CC1=C(C)C(=O)O[C@H](C1)[C@H]1CO[C@@]2(O)C[C@H]3[C@@H](C[C@@H](O)C4=CC=CC(=O)[C@]34C)[C@@H]3CC[C@]1(O)[C@@]23C

InChI Identifier

InChI=1S/C28H36O7/c1-14-10-22(35-24(31)15(14)2)20-13-34-28(33)12-19-16(17-8-9-27(20,32)26(17,28)4)11-21(29)18-6-5-7-23(30)25(18,19)3/h5-7,16-17,19-22,29,32-33H,8-13H2,1-4H3/t16-,17-,19-,20+,21+,22+,25-,26-,27+,28-/m0/s1

InChI Key

PXDXIMCPTJCYRN-LRZAAKMNSA-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
Jaborosa sativa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Steroid lactones

Alternative Parents

Substituents

Steroid lactone
12-hydroxysteroid
6-hydroxysteroid
Hydroxysteroid
17-hydroxysteroid
1-oxosteroid
Oxosteroid
Naphthopyran
Iridoid-skeleton
Naphthalene
Dihydropyranone
Oxane
Pyran
Cyclic alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Secondary alcohol
Carboxylic acid ester
Hemiacetal
Ketone
Lactone
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Polyol
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Organooxygen compound
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
logP	2.44	ChemAxon
pKa (Strongest Acidic)	11.58	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	113.29 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	129.78 m³·mol⁻¹	ChemAxon
Polarizability	51.41 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

101925290

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Garcia ME, Barboza GE, Oberti JC, Rios-Luci C, Padron JM, Nicotra VE, Estevez-Braun A, Ravelo AG: Antiproliferative activity of withanolide derivatives from Jaborosa cabrerae and Jaborosa reflexa. Chemotaxonomic considerations. Phytochemistry. 2012 Apr;76:150-7. doi: 10.1016/j.phytochem.2011.12.018. Epub 2012 Feb 8. [PubMed:22325549 ]
Salisbury L, Baraitser L: Depressing time: Waiting, melancholia, and the psychoanalytic practice of care. 2020. [PubMed:36137063 ]
Heimer G, Neuser S, Ben-Zeev B, Ebrahimi-Fakhari D: TECPR2-Related Hereditary Sensory and Autonomic Neuropathy with Intellectual Disability. 1993. [PubMed:36137062 ]
Tibbe D, Ferle P, Krisp C, Nampoothiri S, Mirzaa G, Assaf M, Parikh S, Kutsche K, Kreienkamp HJ: Regulation of Liprin-alpha phase separation by CASK is disrupted by a mutation in its CaM kinase domain. Life Sci Alliance. 2022 Sep 22;5(10). pii: 5/10/e202201512. doi: 10.26508/lsa.202201512. Print 2022 Oct. [PubMed:36137748 ]
Nicotra VE, Ramacciotti NS, Gil RR, Oberti JC, Feresin GE, Guerrero CA, Baggio RF, Garland MT, Burton G: Phytotoxic withanolides from Jaborosa rotacea. J Nat Prod. 2006 May;69(5):783-9. doi: 10.1021/np0600090. [PubMed:16724841 ]
LOTUS database [Link]

Showing NP-Card for (1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one (NP0300335)

MOL for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

3D MOL for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

3D SDF for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

3D-SDF for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

PDB for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

3D PDB for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

SMILES for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

INCHI for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

Structure for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)

3D Structure for NP0300335 ((1s,2r,4r,10r,11s,13s,16r,17r,20s)-16-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-4,13,17-trihydroxy-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one)