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Home > Encyclopedia > (6R)-6,6aβ,7aβ,8,9,12,12a,12bβ-Octahydro-12α,12aα-dihydroxy-2,2,7,7,9β,11-hexamethyl-7H-6β,9aβ-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one

(6R)-6,6aβ,7aβ,8,9,12,12a,12bβ-Octahydro-12α,12aα-dihydroxy-2,2,7,7,9β,11-hexamethyl-7H-6β,9aβ-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one

(6R)-6,6aβ,7aβ,8,9,12,12a,12bβ-Octahydro-12α,12aα-dihydroxy-2,2,7,7,9β,11-hexamethyl-7H-6β,9aβ-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one structure

(6R)-6,6aβ,7aβ,8,9,12,12a,12bβ-Octahydro-12α,12aα-dihydroxy-2,2,7,7,9β,11-hexamethyl-7H-6β,9aβ-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one 

structure
  • CAS No:

    77573-43-4

  • Formula:

    C23H32O5

  • Chemical Name:

    (6R)-6,6aβ,7aβ,8,9,12,12a,12bβ-Octahydro-12α,12aα-dihydroxy-2,2,7,7,9β,11-hexamethyl-7H-6β,9aβ-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one

  • Synonyms:

    (6R)-6,6aβ,7aβ,8,9,12,12a,12bβ-Octahydro-12α,12aα-dihydroxy-2,2,7,7,9β,11-hexamethyl-7H-6β,9aβ-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one

  • Categories:

    Biochemical Engineering  >  Biosynthetic Natural Products

Description

Ingenol-5,20-acetonide is an intermediate from ingenol for synthesis of ingenoids; improved stability compared to ingenol.

(6R)-6,6aβ,7aβ,8,9,12,12a,12bβ-Octahydro-12α,12aα-dihydroxy-2,2,7,7,9β,11-hexamethyl-7H-6β,9aβ-methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one Basic Attributes

388.497

388.224976

Characteristics

75.99000

4.24

1.3±0.1 g/cm3

531.4±50.0 °C at 760 mmHg

180.5±23.6 °C

1.593

Safety Information

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:388.5
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:388.22497412
Monoisotopic Mass:388.22497412
Topological Polar Surface Area:76
Heavy Atom Count:28
Complexity:823
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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