NP-MRD: Showing NP-Card for (1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone (NP0305537)

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Record Information

Version

2.0

Created at

2022-09-10 21:27:00 UTC

Updated at

2022-09-10 21:27:00 UTC

NP-MRD ID

NP0305537

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone

Description

Isophysalin B belongs to the class of organic compounds known as physalins and derivatives. These are steroidal constituents of Physalis plants which possess an unusual 13,14-seco-16,24-cyclo-steroidal ring skeleton (where the bond that is normally present between the 13 and 14 positions in other steroids is broken while a new bond between positions 16 and 24 is formed). (1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone is found in Alkekengi officinarum and Physalis minima. (1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone was first documented in 2005 (PMID: 17193198). Based on a literature review a small amount of articles have been published on Isophysalin B (PMID: 29331063) (PMID: 27279713) (PMID: 35723317) (PMID: 16819205).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102223272D          

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M  END

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M  END


  Mrv1652309102223272D          

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  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  6  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  1  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 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
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 30 36  1  0  0  0  0
 26 36  1  0  0  0  0
 36 37  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0305537

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5C=CCC(=O)[C@]45C)[C@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@H]1CO5

> <INCHI_IDENTIFIER>
InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4-5,7,14-16,18-19,33H,6,8-12H2,1-3H3/t14-,15+,16+,18+,19-,23+,24-,25-,26-,27-,28-/m0/s1

> <INCHI_KEY>
HRUAQJXBUYEBPK-FMPMANLDSA-N

> <FORMULA>
C28H30O9

> <MOLECULAR_WEIGHT>
510.539

> <EXACT_MASS>
510.188982546

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
67.21857625969784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,5R,8S,9R,17R,18S,21R,24R,26S,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1^{18,27}.0^{1,5}.0^{2,24}.0^{8,17}.0^{9,14}.0^{21,26}]nonacosa-12,14-diene-4,10,22,29-tetrone

> <JCHEM_LOGP>
2.2251753463333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.530010200125021

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.673877896705893

> <JCHEM_PKA_STRONGEST_BASIC>
-4.12674155725487

> <JCHEM_POLAR_SURFACE_AREA>
125.43

> <JCHEM_REFRACTIVITY>
125.7249

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5R,8S,9R,17R,18S,21R,24R,26S,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1^{18,27}.0^{1,5}.0^{2,24}.0^{8,17}.0^{9,14}.0^{21,26}]nonacosa-12,14-diene-4,10,22,29-tetrone

> <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       1.865  -1.967   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.645  -1.028   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.382   0.135   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.863   1.101   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.953  -0.309   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.414  -1.945   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.461  -3.075   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.204  -2.345   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.498  -3.402   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       3.107  -3.227   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.825  -1.774   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.453  -1.148   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.324   0.847   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.851  -0.234   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.629  -0.325   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.672   0.809   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.785   1.772   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.387   2.771   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.132   3.267   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.667   3.421   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.413   4.769   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.365   2.006   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.128   3.344   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.923   2.126   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.132   1.176   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.337  -0.351   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.408  -1.579   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.007  -2.997   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.535  -3.188   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.465  -1.960   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.993  -2.151   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.922  -0.922   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.323   0.496   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.795   0.687   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.196   2.106   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       7.866  -0.541   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.267   0.878   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    8   14                                             
CONECT    3    2    4                                                       
CONECT    4    3    5   17                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    2    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   15   27                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   17   22                                             
CONECT   14   13    2   15                                                  
CONECT   15   14   11   16                                                  
CONECT   16   15                                                            
CONECT   17   13    4   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   13   23   24                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   36                                                  
CONECT   27   26   11   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   36                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   30   26   37                                             
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₀O₉

Average Mass

510.5390 Da

Monoisotopic Mass

510.18898 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5C=CCC(=O)[C@]45C)[C@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@H]1CO5

InChI Identifier

InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4-5,7,14-16,18-19,33H,6,8-12H2,1-3H3/t14-,15+,16+,18+,19-,23+,24-,25-,26-,27-,28-/m0/s1

InChI Key

HRUAQJXBUYEBPK-FMPMANLDSA-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
Alkekengi officinarum var. franchetii	LOTUS Database	35616633
Physalis minima	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as physalins and derivatives. These are steroidal constituents of Physalis plants which possess an unusual 13,14-seco-16,24-cyclo-steroidal ring skeleton (where the bond that is normally present between the 13 and 14 positions in other steroids is broken while a new bond between positions 16 and 24 is formed).

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Physalins and derivatives

Direct Parent

Physalins and derivatives

Alternative Parents

Substituents

Physalin skeleton
Ketal
Cyclohexenone
Oxepane
Delta_valerolactone
Delta valerolactone
Oxane
Gamma butyrolactone
3-furanone
Dicarboxylic acid or derivatives
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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

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

101131177

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zheng Y, Lin M, Hu X, Zhai Y, Zhang Q, Lou Y, ShenTu J, Wu L: Simultaneous pharmacokinetics and stability studies of physalins in rat plasma and intestinal bacteria culture media using liquid chromatography with mass spectrometry. J Sep Sci. 2018 Apr;41(8):1781-1790. doi: 10.1002/jssc.201701089. Epub 2018 Mar 2. [PubMed:29331063 ]
Men R, Li N, Ding C, Tang Y, Xing Y, Ding W, Ma Z: Chemopreventive Agents from Physalis minima Function as Michael Reaction Acceptors. Pharmacogn Mag. 2016 May;12(Suppl 2):S231-6. doi: 10.4103/0973-1296.182153. Epub 2016 May 11. [PubMed:27279713 ]
Park HJ, Shim HS, Han AR, Seo EK, Kim KR, Han BH, Shim I: Anti-Inflammatory Effect of Three Isolated Compounds of Physalis alkekengi var. franchetii (PAF) in Lipopolysaccharide-Activated RAW 264.7 Cells. Curr Issues Mol Biol. 2022 Mar 21;44(3):1407-1416. doi: 10.3390/cimb44030094. [PubMed:35723317 ]
Choudhary MI, Yousaf S, Ahmed S, Yasmeen K: Antileishmanial physalins from Physalis minima. Chem Biodivers. 2005 Sep;2(9):1164-73. doi: 10.1002/cbdv.200590086. [PubMed:17193198 ]
Choudhary MI, Yousuf S, Samreen, Shah SA, Ahmed S, Atta-ur-Rahman: Biotransformation of physalin H and leishmanicidal activity of its transformed products. Chem Pharm Bull (Tokyo). 2006 Jul;54(7):927-30. doi: 10.1248/cpb.54.927. [PubMed:16819205 ]
LOTUS database [Link]

Showing NP-Card for (1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone (NP0305537)

MOL for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

3D MOL for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

3D SDF for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

3D-SDF for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

PDB for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

3D PDB for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

SMILES for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

INCHI for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

Structure for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)

3D Structure for NP0305537 ((1r,2s,5r,8s,9r,17r,18s,21r,24r,26s,27s)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-12,14-diene-4,10,22,29-tetrone)