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BaccatinIV

BaccatinIV structure

BaccatinIV 

structure
  • CAS No:

    57672-77-2

  • Formula:

    C32H44O14

  • Chemical Name:

    BaccatinIV

  • Synonyms:

    BaccatinIV;(2aR)-2a,3,4,4a,5,6,9,10,12,12aβ-Decahydro-4aα,8,13,13-tetramethyl-7,11β-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4α,5β,6α,9β,11α,12β,12bβ-heptol 4,5,6,9,12,12b-hexaacetate

  • Categories:

    Natural Products  >  Terpenes

BaccatinIV Basic Attributes

652.68300

652.273132

Characteristics

187.26000

2.81

1.3±0.1 g/cm3

649.5±55.0 °C at 760 mmHg

194.6±25.0 °C

1.542

Computed Properties

Molecular Weight:652.7
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:12
Exact Mass:652.27310607
Monoisotopic Mass:652.27310607
Topological Polar Surface Area:187
Heavy Atom Count:46
Complexity:1370
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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