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Home > Encyclopedia > (1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one

(1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one

(1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one structure

(1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one 

structure
  • CAS No:

    19417-00-6

  • Formula:

    C15H20O7

  • Chemical Name:

    (1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one

  • Synonyms:

    (1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one;Isohyenanchin

  • Categories:

    Natural Products  >  Sesquiterpene

(1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one Basic Attributes

312.31500

312.120911

Characteristics

112.05000

0.45

1.6±0.1 g/cm3

594.6±50.0 °C at 760 mmHg

227.4±23.6 °C

1.649

Computed Properties

Molecular Weight:312.31
XLogP3:-1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:312.12090297
Monoisotopic Mass:312.12090297
Topological Polar Surface Area:112
Heavy Atom Count:22
Complexity:605
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one

(1aS,7S,7aR,8S)-1a,1b,5,6,6a,7a-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methyl-1-hydroxyethyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one

SDS

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