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Substance Name: Xysmalorin
RN: 31387-88-9
InChIKey: BPYRVOCFRMKMIP-VNHOZMEZSA-N

Molecular Formula

  • C35-H52-O14

Molecular Weight

  • 696.782
 
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Names and Synonyms

  • Xysmalorin

Registry Numbers

CAS Registry Number

  • 31387-88-9

System Generated Number

  • 0031387889

Structure Descriptors

InChI

1S/C35H52O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h3,11,18-23,25-32,36-37,39-44H,4-10,12-15H2,1-2H3/t18-,19+,20-,21+,22+,23+,25+,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-/m0/s1

InChIKey

BPYRVOCFRMKMIP-VNHOZMEZSA-N

Smiles

O1[C@@H]([C@H]([C@H](O)[C@H]([C@@H]1O[C@H]1CC[C@@]2(C(C1)=CC[C@H]1[C@@]3(CC[C@@H](C4=CC(OC4)=O)[C@@]3(C)CC[C@H]21)O)C)O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 4472ug/kg (4.472mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.