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Home > Encyclopedia > (E)-2-(Hydroxymethyl)-2-butenoic acid (3aR)-2,3,3aβ,4,5,5a,6,7,8,9,9aβ,9bα-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4α-yl ester

(E)-2-(Hydroxymethyl)-2-butenoic acid (3aR)-2,3,3aβ,4,5,5a,6,7,8,9,9aβ,9bα-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4α-yl ester

(E)-2-(Hydroxymethyl)-2-butenoic acid (3aR)-2,3,3aβ,4,5,5a,6,7,8,9,9aβ,9bα-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4α-yl ester structure

(E)-2-(Hydroxymethyl)-2-butenoic acid (3aR)-2,3,3aβ,4,5,5a,6,7,8,9,9aβ,9bα-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4α-yl ester 

structure
  • CAS No:

    94190-28-0

  • Formula:

    C20H26O6

  • Chemical Name:

    (E)-2-(Hydroxymethyl)-2-butenoic acid (3aR)-2,3,3aβ,4,5,5a,6,7,8,9,9aβ,9bα-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4α-yl ester

  • Synonyms:

    Trichomatolide E

(E)-2-(Hydroxymethyl)-2-butenoic acid (3aR)-2,3,3aβ,4,5,5a,6,7,8,9,9aβ,9bα-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4α-yl ester Basic Attributes

362.41684

362.173

Characteristics

93.1

1.6

Computed Properties

Molecular Weight:362.4
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:362.17293854
Monoisotopic Mass:362.17293854
Topological Polar Surface Area:93.1
Heavy Atom Count:26
Complexity:692
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (E)-2-(Hydroxymethyl)-2-butenoic acid (3aR)-2,3,3aβ,4,5,5a,6,7,8,9,9aβ,9bα-dodecahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4α-yl ester

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