Pengitoxin [INN] (7242-04-8)

Identification
Name:	Pengitoxin [INN]
Synonyms:	Pengitoxin;Pentaacetylgitoxin;Cordoval;Carnacid-cor;Pengitossina [DCIT];Pengitoxina [INN-Spanish];Pengitoxinum [INN-Latin];Card-20(22)-enolide,16-(acetyloxy)-3-[(O-3,- 4-di-O-acetyl-2,6-dideoxy-a-D-ribohexopyranosyl-( 1f4)-O-3-O-acetyl-2,6- dideoxy-a-D-ribo-hexopyranosyl-(1f4)-3-Oacetyl- 2,6-dideoxy-a-D-ribo-hexopyranosyl)- oxy]-14-hydroxy-,(3a,5a,16a)-;Penta-O-acetylgitoxin;27071-80-3;Pengitoxine [INN-French];[4-acetyloxy-6-[4-acetyloxy-6-[4-acetyloxy-6-[[16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-oxan-3-yl]oxy-2-methyl-oxan-3-yl]oxy-2-methyl-oxan-3-yl] acetate;Pengitoxin [INN];Pentagit;
CAS:	7242-04-8
EINECS:	230-645-5
Molecular Formula:	C51H74O19
Molecular Weight:	991.127
InChI:	InChI=1/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3/t24-,25-,26-,33-,34+,35+,36-,37+,38+,39+,40+,42+,43+,44+,45+,46-,47-,48-,49+,50-,51+/m1/s1
Molecular Structure:
Properties
Flash Point:	254.4°C
Boiling Point:	923.5°Cat760mmHg
Density:	1.3g/cm3
Refractive index:	1.557
Specification:	Descriptors computed from structure, you can know some information about Pengitoxin [INN] (CAS NO.7242-04-8) : Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC(=O)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)OC(=O)C)OC(=O)C InChI: InChI=1S/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3 InChIKey: JDYLJSDIEBHXPO-UHFFFAOYSA-N
Flash Point:	254.4°C
Safety Data

Pengitoxin [INN] (7242-04-8)

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