Brevetoxin B
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Brevetoxin B
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CAS No:
79580-28-2
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Formula:
C50H70O14
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Chemical Name:
Brevetoxin B
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Synonyms:
Brevetoxin B;1H-Pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[3,2-b]pyrano[2′′′′′′,3′′′′′′:5′′′′′,6′′′′′]pyrano[2′′′′′,3′′′′′:5′′′′,6′′′′]pyrano[2′′′′,3′′′′:6′′′,7′′′]oxepino[2′′′,3′′′:6′′,7′′]oxepino[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[2,3-g]oxocin,brevetoxin B deriv.;1H-Pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[3,2-b]pyrano[2′′′′′′,3′′′′′′:5′′′′′,6′′′′′]pyrano[2′′′′′,3′′′′′:5′′′′,6′′′′]pyrano[2′′′′,3′′′′:6′′′,7′′′]oxepino[2′′′,3′′′:6′′,7′′]oxepino[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[2,3-g]oxocin-3-propanal,2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,18,20a,21a,22,22a,23a,24,25,25a,26a,27,27a,28a,29,29a,30a-tetratriacontahydro-1-hydroxy-9a,13,20,21a,25a,26a,30a-heptamethyl-α-methylene-18-oxo-,[1S-(1α,3α,4aα,5aα,6aα,9aα,10aα,11aα,12aα,13β,14aα,15aα,16aα,20aβ,21aβ,22aβ,23aβ,25aβ,26aβ,27aβ,28aβ,29aβ,30aβ)]-;GB 2 (Gymnodinium);GB 2;Brevetoxin T 34;T 34;T 4-7 toxin;T 4-7;BTX-B;GB 2 toxin;T 34 toxin;Brevetoxin PbTx 2;Brevetoxin 2;PbTx 2;Ptychodiscusbrevis toxin 2;(+)-Brevetoxin B
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CAS No:
Safety Information
6.1(a)
UN 2811 6.1/PG 2
3
26/27/28
22-36/37/39-45
XW5886000
T+
P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501
H300
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:895.1
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:3
Exact Mass:894.47655690
Monoisotopic Mass:894.47655690
Topological Polar Surface Area:156
Heavy Atom Count:64
Complexity:1940
Undefined Atom Stereocenter Count:23
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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