(E)-2-Hydroxymethyl-2-butenoic acid (E)-2-[[[(3aR)-2,3,3aβ,4,5,6,6aβ,7,9aβ,9bα-decahydro-7α-hydroxy-9-methyl-3,6-bismethylene-2-oxoazuleno[4,5-b]furan-4α-yl]oxy]carbonyl]-2-butenyl ester
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(E)-2-Hydroxymethyl-2-butenoic acid (E)-2-[[[(3aR)-2,3,3aβ,4,5,6,6aβ,7,9aβ,9bα-decahydro-7α-hydroxy-9-methyl-3,6-bismethylene-2-oxoazuleno[4,5-b]furan-4α-yl]oxy]carbonyl]-2-butenyl ester
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CAS No:
100015-12-1
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Formula:
C25H30O8
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Chemical Name:
(E)-2-Hydroxymethyl-2-butenoic acid (E)-2-[[[(3aR)-2,3,3aβ,4,5,6,6aβ,7,9aβ,9bα-decahydro-7α-hydroxy-9-methyl-3,6-bismethylene-2-oxoazuleno[4,5-b]furan-4α-yl]oxy]carbonyl]-2-butenyl ester
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Synonyms:
Prespicatin
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CAS No:
(E)-2-Hydroxymethyl-2-butenoic acid (E)-2-[[[(3aR)-2,3,3aβ,4,5,6,6aβ,7,9aβ,9bα-decahydro-7α-hydroxy-9-methyl-3,6-bismethylene-2-oxoazuleno[4,5-b]furan-4α-yl]oxy]carbonyl]-2-butenyl ester Basic Attributes
458.5009
458.194
Computed Properties
Molecular Weight:458.5
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:458.19406791
Monoisotopic Mass:458.19406791
Topological Polar Surface Area:119
Heavy Atom Count:33
Complexity:969
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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