Deacetylsalannin
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Deacetylsalannin
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CAS No:
1110-56-1
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Formula:
C32H42O8
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Chemical Name:
Deacetylsalannin
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Synonyms:
2H,3H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,methyl ester,(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-;2H,3H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid,8α-(3-furyl)-2a,4,5,5a,6α,6a,8,9,9aα,10aβ,10bβ,10cα-dodecahydro-3α,5α-dihydroxy-2aβ,5aβ,6aβ,7-tetramethyl-,methyl ester,5-(2-methylcrotonate),(E)-(+)-;2H,3H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[(2-methyl-1-oxo-2-butenyl)oxy]-,methyl ester,[2aR-[2aα,3β,5β(E),5aα,6α,6aα,8β,9aβ,10aα,10bα,10cβ]]-;2H,3H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid,8α-(3-furyl)-2a,4,5,5a,6α,6a,8,9,9aα,10aβ,10bβ,10cα-dodecahydro-3α,5α-dihydroxy-2aβ,5aβ,6aβ,7-tetramethyl-,methyl ester,tiglate;2H,3H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-,methyl ester,(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-;Crotonic acid,2-methyl-,5-ester with methyl 8α-(3-furyl)-2a,4,5,5a,6α,6a,8,9,9aα,10aβ,10bβ,10cα-dodecahydro-3α,5α-dihydroxy-2aβ,5aβ,6aβ,7-tetramethyl-2H,3H-cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetate,(E)-(+)-;18061-30-8;154082-47-0
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CAS No:
Description
ChEBI: A limonoid that is salannin in which the acetyloxy group at position 6 is replaced by a hydroxy group. It has been isolated from Azadirachta indica.
Characteristics
104
4.73
1.3±0.1 g/cm3
213-216 °C
628.0±55.0 °C at 760 mmHg
333.6±31.5 °C
1.578
1.22E-16mmHg at 25°C
Computed Properties
Molecular Weight:554.7
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:554.28796829
Monoisotopic Mass:554.28796829
Topological Polar Surface Area:104
Heavy Atom Count:40
Complexity:1140
Undefined Atom Stereocenter Count:11
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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