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Home > Encyclopedia > (2aR,4aS,10S,10aR,13aS)-1,2,2a,3,4,4a,10,10a,11,12,13,13a-Dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenylbenzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde

(2aR,4aS,10S,10aR,13aS)-1,2,2a,3,4,4a,10,10a,11,12,13,13a-Dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenylbenzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde

(2aR,4aS,10S,10aR,13aS)-1,2,2a,3,4,4a,10,10a,11,12,13,13a-Dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenylbenzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde structure

(2aR,4aS,10S,10aR,13aS)-1,2,2a,3,4,4a,10,10a,11,12,13,13a-Dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenylbenzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde 

structure
  • CAS No:

    1219603-97-0

  • Formula:

    C30H34O5

  • Chemical Name:

    (2aR,4aS,10S,10aR,13aS)-1,2,2a,3,4,4a,10,10a,11,12,13,13a-Dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenylbenzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde

  • Synonyms:

    Benzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde,1,2,2a,3,4,4a,10,10a,11,12,13,13a-dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenyl-,(2aR,4aS,10S,10aR,13aS)-;(2aR,4aS,10S,10aR,13aS)-1,2,2a,3,4,4a,10,10a,11,12,13,13a-Dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenylbenzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde

  • Categories:

    Natural Products  >  Sesquiterpene

(2aR,4aS,10S,10aR,13aS)-1,2,2a,3,4,4a,10,10a,11,12,13,13a-Dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenylbenzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde Basic Attributes

474.597

474.59

Characteristics

83.8

6.6

Drug Information

guajadial

Computed Properties

Molecular Weight:474.6
XLogP3:6.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:474.24062418
Monoisotopic Mass:474.24062418
Topological Polar Surface Area:83.8
Heavy Atom Count:35
Complexity:831
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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