NP-MRD: Showing NP-Card for (1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate (NP0267890)

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Record Information

Version

2.0

Created at

2022-09-08 12:49:11 UTC

Updated at

2022-09-08 12:49:11 UTC

NP-MRD ID

NP0267890

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate

Description

PC-M5' belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. PC-M5' is an extremely weak basic (essentially neutral) compound (based on its pKa). (1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate is found in Penicillium solitum. Tremorgenic mycotoxin from Penicillium crustosum.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 01291301102D          

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M  END

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M  END


  Mrv0541 01291301102D          

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  9  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 12  8  1  0  0  0  0
 10 11  1  0  0  0  0
  9 10  2  0  0  0  0
 13 12  1  0  0  0  0
 12 11  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 14  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 21 20  2  0  0  0  0
 20 19  1  0  0  0  0
 19 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  1  0  0  0
 11 26  1  6  0  0  0
 14 27  1  1  0  0  0
 23 28  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 12 35  1  1  0  0  0
 15 36  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0267890

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CC3=C(NC4=C3C=CC=C4)[C@]1(C)[C@@]1(C)CC[C@@H]3O[C@@H]([C@H](OC(C)=O)C=C3[C@]1(O)CC2)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C29H37NO5/c1-16(31)34-23-15-20-22(35-25(23)26(2,3)32)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,22-23,25,30,32-33H,10-14H2,1-5H3/t17-,22-,23+,25-,27+,28+,29+/m0/s1

> <INCHI_KEY>
IMABPJDBODVJSN-HKZMUHMQSA-N

> <FORMULA>
C29H37NO5

> <MOLECULAR_WEIGHT>
479.6078

> <EXACT_MASS>
479.267173299

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
54.491314341697574

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S,7S,8R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17(22),18,20-pentaen-8-yl acetate

> <ALOGPS_LOGP>
4.75

> <JCHEM_LOGP>
3.449032496666666

> <ALOGPS_LOGS>
-5.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.348417787247406

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.611524326541936

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1357150032455516

> <JCHEM_POLAR_SURFACE_AREA>
91.78000000000002

> <JCHEM_REFRACTIVITY>
133.1347

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.85e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,7S,8R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17(22),18,20-pentaen-8-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JAN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JAN-13         0                                  
HETATM    1  C   UNK     0      -5.375 -13.144   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.708 -13.914   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.708 -15.454   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.375 -16.224   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.041 -15.454   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.041 -13.914   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -2.707 -16.224   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -0.040 -13.144   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.374 -13.914   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.374 -15.454   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.294 -15.454   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.294 -13.914   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.627 -13.144   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.627 -16.224   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.961 -15.454   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.961 -13.914   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.627 -17.764   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.961 -18.534   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.295 -17.764   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.295 -16.224   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.628 -15.454   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.628 -18.534   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.962 -17.764   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.962 -16.224   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       9.296 -15.454   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.205 -16.543   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.294 -16.994   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.296 -18.534   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.629 -17.764   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.296 -20.074   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      10.629 -19.304   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       9.296 -13.914   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.630 -13.144   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       7.962 -13.144   0.000  0.00  0.00           O+0
HETATM   35  H   UNK     0       1.294 -12.374   0.000  0.00  0.00           H+0
HETATM   36  O   UNK     0       5.295 -14.684   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    1    9    5                                                  
CONECT    7    5   10                                                       
CONECT    8    9   12                                                       
CONECT    9    6    8   10                                                  
CONECT   10    7   11    9                                                  
CONECT   11   10   12   14   26                                             
CONECT   12    8   13   11   35                                             
CONECT   13   12   16                                                       
CONECT   14   11   15   17   27                                             
CONECT   15   16   20   14   36                                             
CONECT   16   15   13                                                       
CONECT   17   14   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   15   21   19                                                  
CONECT   21   20   24                                                       
CONECT   22   19   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   21   25                                                  
CONECT   25   24   32                                                       
CONECT   26   11                                                            
CONECT   27   14                                                            
CONECT   28   23   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
CONECT   32   25   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   12                                                            
CONECT   36   15                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Value	Source
(1S,2R,5S,7S,8R,11S,14S)-11-Hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetic acid	Generator

Chemical Formula

C₂₉H₃₇NO₅

Average Mass

479.6078 Da

Monoisotopic Mass

479.26717 Da

IUPAC Name

(1S,2R,5S,7S,8R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17(22),18,20-pentaen-8-yl acetate

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@]12CC3=C(NC4=C3C=CC=C4)[C@]1(C)[C@@]1(C)CC[C@@H]3O[C@@H]([C@H](OC(C)=O)C=C3[C@]1(O)CC2)C(C)(C)O

InChI Identifier

InChI=1S/C29H37NO5/c1-16(31)34-23-15-20-22(35-25(23)26(2,3)32)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,22-23,25,30,32-33H,10-14H2,1-5H3/t17-,22-,23+,25-,27+,28+,29+/m0/s1

InChI Key

IMABPJDBODVJSN-HKZMUHMQSA-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
Penicillium solitum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
Naphthalene
3-alkylindole
Indole
Indole or derivatives
Pyran
Benzenoid
Cyclic alcohol
Heteroaromatic compound
Tertiary alcohol
Pyrrole
Carboxylic acid ester
Carboxylic acid derivative
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Oxacycle
Azacycle
Organic oxide
Organopnictogen compound
Carbonyl group
Alcohol
Hydrocarbon derivative
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	4.75	ALOGPS
logP	3.45	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	13.61	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	91.78 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	133.13 m³·mol⁻¹	ChemAxon
Polarizability	54.49 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

HMDB0038569

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB017956

KNApSAcK ID

Not Available

Chemspider ID

22943202

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

38348556

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate (NP0267890)

MOL for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

3D MOL for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

3D SDF for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

3D-SDF for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

PDB for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

3D PDB for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

SMILES for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

INCHI for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

Structure for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)

3D Structure for NP0267890 ((1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate)