NP-MRD: Showing NP-Card for (2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione (NP0270226)

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Record Information

Version

2.0

Created at

2022-09-08 16:00:20 UTC

Updated at

2022-09-08 16:00:20 UTC

NP-MRD ID

NP0270226

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione

Description

Anabsin belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. (2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione was first documented in 2010 (PMID: 20886883). Based on a literature review very few articles have been published on Anabsin.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082218002D          

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M  END

     RDKit          2D

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M  END


  Mrv1652309082218002D          

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    1.0660   -2.1842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9372   -2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1665   -1.7536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7507   -1.8712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5728   -1.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682   -2.8776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4485   -3.3443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  6  0  0  0
 13 16  1  0  0  0  0
 16  3  1  6  0  0  0
 17 16  1  1  0  0  0
 18 17  1  1  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 29  1  1  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
 19 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32  2  1  1  0  0  0
 17 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 20 35  1  0  0  0  0
 33 36  1  0  0  0  0
 18 36  1  0  0  0  0
 36 37  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0270226

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@@H]5[C@@H](O)[C@@]6(C)OC7(C)CC[C@H]8[C@H](C)C(=O)O[C@@H]8C6([C@H]4C(C)=C3[C@H]2OC1=O)[C@@H]57

> <INCHI_IDENTIFIER>
InChI=1S/C30H40O7/c1-11-14-7-9-27(4,34)20-16(21(14)35-25(11)32)13(3)19-17(20)18-22-28(5)10-8-15-12(2)26(33)36-24(15)30(19,22)29(6,37-28)23(18)31/h11-12,14-15,17-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,17-,18-,19-,20-,21-,22-,23+,24-,27-,28?,29+,30?/m0/s1

> <INCHI_KEY>
OVZIMEDUADJHPN-QEMHMSQXSA-N

> <FORMULA>
C30H40O7

> <MOLECULAR_WEIGHT>
512.643

> <EXACT_MASS>
512.277403628

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
35.81468801655544

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,5S,8S,9S,12S,13R,14R,15S,16R,17S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0^{1,17}.0^{2,14}.0^{4,13}.0^{5,9}.0^{19,27}.0^{22,26}]heptacos-3-ene-7,24-dione

> <JCHEM_LOGP>
1.7169181180000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.7492269942522

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.69936802933685

> <JCHEM_PKA_STRONGEST_BASIC>
-2.928369741001383

> <JCHEM_POLAR_SURFACE_AREA>
102.29

> <JCHEM_REFRACTIVITY>
132.5116

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,5S,8S,9S,12S,13R,14R,15S,16R,17S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0^{1,17}.0^{2,14}.0^{4,13}.0^{5,9}.0^{19,27}.0^{22,26}]heptacos-3-ene-7,24-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       8.010  -1.506   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.411  -2.925   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.206  -4.243   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.745  -4.306   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      10.645  -3.057   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      12.111  -3.527   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      13.354  -2.616   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      12.118  -5.066   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.367  -5.967   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.655  -5.548   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.251  -7.035   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.838  -7.646   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.479  -6.921   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.075  -8.408   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.940  -6.859   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.198  -5.407   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.779  -4.808   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.920  -5.016   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.857  -3.032   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.956  -1.415   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.487   0.031   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.519  -0.714   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.137  -1.454   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.885  -3.004   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.477  -3.723   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.859  -3.044   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.214  -5.240   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.287  -6.345   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.311  -5.459   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.990  -4.077   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.616  -3.929   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.911  -3.273   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.135  -3.493   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.669  -3.622   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       5.452  -1.797   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       5.167  -5.372   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       6.437  -6.243   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   32                                                  
CONECT    3    2    4   16                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8    4   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13    3   17                                                  
CONECT   17   16   18   32                                                  
CONECT   18   17   19   36                                                  
CONECT   19   18   20   31                                                  
CONECT   20   19   21   22   35                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   24   31                                                  
CONECT   31   30   19   32   33                                             
CONECT   32   31    2   17                                                  
CONECT   33   31   34   35   36                                             
CONECT   34   33                                                            
CONECT   35   33   20                                                       
CONECT   36   33   18   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

C₃₀H₄₀O₇

Average Mass

512.6430 Da

Monoisotopic Mass

512.27740 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@@H]5[C@@H](O)[C@@]6(C)OC7(C)CC[C@H]8[C@H](C)C(=O)O[C@@H]8C6([C@H]4C(C)=C3[C@H]2OC1=O)[C@@H]57

InChI Identifier

InChI=1S/C30H40O7/c1-11-14-7-9-27(4,34)20-16(21(14)35-25(11)32)13(3)19-17(20)18-22-28(5)10-8-15-12(2)26(33)36-24(15)30(19,22)29(6,37-28)23(18)31/h11-12,14-15,17-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,17-,18-,19-,20-,21-,22-,23+,24-,27-,28?,29+,30?/m0/s1

InChI Key

OVZIMEDUADJHPN-QEMHMSQXSA-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 sesterterpenoids. These are terpenes composed of five consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesterterpenoids

Direct Parent

Sesterterpenoids

Alternative Parents

Substituents

Sesterterpenoid
Oxane
Gamma butyrolactone
Dicarboxylic acid or derivatives
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Carboxylic acid derivative
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

C00020968

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

131751986

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Aberham A, Cicek SS, Schneider P, Stuppner H: Analysis of sesquiterpene lactones, lignans, and flavonoids in wormwood (Artemisia absinthium L.) using high-performance liquid chromatography (HPLC)-mass spectrometry, reversed phase HPLC, and HPLC-solid phase extraction-nuclear magnetic resonance. J Agric Food Chem. 2010 Oct 27;58(20):10817-23. doi: 10.1021/jf1022059. Epub 2010 Oct 1. [PubMed:20886883 ]
LOTUS database [Link]

Showing NP-Card for (2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione (NP0270226)

MOL for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

3D MOL for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

3D SDF for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

3D-SDF for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

PDB for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

3D PDB for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

SMILES for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

INCHI for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

Structure for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)

3D Structure for NP0270226 ((2r,5s,8s,9s,12s,13r,14r,15s,16r,17s,22s,23s,26s,27r)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione)