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(2aS,3R,5aR,7aS,7bR,11aS,12aR,13aS,13bS)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[1,7a-c]furan-8(11H)-one
[CAS# 57423-73-1]

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CAS#: 57423-73-1
Product: (2aS,3R,5aR,7aS,7bR,11aS,12aR,13aS,13bS)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[1,7a-c]furan-8(11H)-one
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Identification
Name (2aS,3R,5aR,7aS,7bR,11aS,12aR,13aS,13bS)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[1,7a-c]furan-8(11H)-one
Synonyms withaphysalin B
Molecular Structure CAS#: 57423-73-1, (2aS,3R,5aR,7aS,7bR,11aS,12aR,13aS,13bS)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[1,7a-c]furan-8(11H)-one
Molecular Formula C28H36O6
Molecular Weight 468.58
CAS Registry Number 57423-73-1
SMILES CC=1C[C@@H](OC(=O)C=1C)[C@]5(C)OC(O)[C@]76CC[C@H]2[C@@H](C[C@H]4O[C@]43C\C=C/C(=O)[C@]23C)[C@@H]7CC[C@H]56
InChI 1S/C28H36O6/c1-14-12-21(32-23(30)15(14)2)26(4)19-8-7-18-16-13-22-28(33-22)10-5-6-20(29)25(28,3)17(16)9-11-27(18,19)24(31)34-26/h5-6,16-19,21-22,24,31H,7-13H2,1-4H3/t16-,17+,18+,19-,21-,22-,24?,25+,26-,27-,28-/m1/s1
InChIKey MXOCXQXKLBHAGC-AWZDPCJNSA-N
Properties
Density 1.313g/cm3 (Cal.)
Boiling point 665.896°C at 760 mmHg (Cal.)
Flash point 223.224°C (Cal.)
Market Analysis Reports
List of Reports Available for (2aS,3R,5aR,7aS,7bR,11aS,12aR,13aS,13bS)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[1,7a-c]furan-8(11H)-one
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