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Home > Encyclopedia > (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

(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

(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 structure

(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 

structure
  • CAS No:

    100015-12-1

  • Formula:

    C25H30O8

  • 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

  • Synonyms:

    Prespicatin

(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

Characteristics

119

1.3

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

Guide of (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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