Gypenoside Xlvi

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Catalog Number
ACM94705701
Product Name
Gypenoside Xlvi
CAS
94705-70-1
Category
Heterocyclic Organic Compound
Synonyms
Gypenoside XLVI;(2alpha,3beta,12beta)-20-(beta-D-Glucopyranosyloxy)-2,12-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
IUPAC Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight
963.2
Molecular Formula
C48H82O19
Canonical SMILES
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C
InChI
InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-14-47(7)30(22)23(52)16-29-45(5)17-24(53)40(44(3,4)28(45)12-15-46(29,47)6)66-43-39(36(59)33(56)27(20-51)64-43)65-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26+,27+,28-,29+,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,45-,46+,47+,48-/m0/s1
InChI Key
VENRSYBHHVDBDC-YETCIKTFSA-N
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