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Home > Encyclopedia > (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one

(3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one

(3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one structure

(3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one 

structure
  • CAS No:

    31105-79-0

  • Formula:

    C15H20O4

  • Chemical Name:

    (3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one

  • Synonyms:

    Cyclodeca[b]furan-2(3H)-one,3a,4,5,6,7,8,9,11a-octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)-,(3aS,7R,10E,11aR)-;Cyclodeca[b]furan-2(3H)-one,3a,4,5,6,7,8,9,11a-octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)-,[3aS-(3aR*,7S*,10E,11aS*)]-;Germacra-4,10(14),11(13)-trien-12-oic acid,1α,2α,6α-trihydroxy-,γ-lactone,(E)-;(3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one;Verlotorin;Peroxycostunolide;NSC 293103;64845-90-5;69845-90-5

Description

ChEBI: A germacranolide isolated from Laurus nobilis L.

(3aS,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7-hydroperoxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one Basic Attributes

264.32 g/mol

264.32

293103

Characteristics

55.8 Ų

1.14±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:264.32
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:264.13615911
Monoisotopic Mass:264.13615911
Topological Polar Surface Area:55.8
Heavy Atom Count:19
Complexity:435
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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