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Jaconine

Jaconine structure

CAS No:
480-75-1
Formula:
C18H26ClNO6
Chemical Name:
Jaconine
Synonyms:
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione,3-[(1R)-1-chloroethyl]-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl-,(3R,5R,6S,14aR,14bR)-;Jaconine;Senecionan-11,16-dione,20-chloro-15,20-dihydro-12,15-dihydroxy-,(15α,20R)-;(3R,5R,6S,14aR,14bR)-3-[(1R)-1-Chloroethyl]-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione;[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione,3-(1-chloroethyl)-3,4,5,6,9,11,13,14,14a,14b-decahydro-3,6-dihydroxy-5,6-dimethyl-,[3R-[3R*(R*),5R*,6S*,14aR*,14bR*]]-
Categories:
Organic Chemistry > Heterocyclic Ring

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Jaconine Basic Attributes

Molecular Weight：

387.85500

Exact Mass：

387.86

Characteristics

PSA：

96.30000

XLogP3：

0.54280

Density：

1.36±0.1 g/cm3(Predicted)

Melting Point：

146 °C

Boiling Point：

180 °C

Computed Properties

Molecular Weight:387.9
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:387.1448652
Monoisotopic Mass:387.1448652
Topological Polar Surface Area:96.3
Heavy Atom Count:26
Complexity:639
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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jaconine

CAS No.: 480-75-1

Grade: Industrial Grade

Content: 99%

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