11-Deoxymogroside V

CAS	1707161-17-8
IUPAC Name	(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10S,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	1271.45
Molecular Formula	C60H102O28
Canonical SMILES	CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CCC6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C
InChI	InChI=1S/C60H102O28/c1-24(9-13-35(57(4,5)78)87-55-50(88-54-49(77)43(71)38(66)30(21-63)83-54)45(73)40(68)32(85-55)23-80-52-47(75)42(70)37(65)29(20-62)82-52)25-15-16-60(8)33-12-10-26-27(58(33,6)17-18-59(25,60)7)11-14-34(56(26,2)3)86-53-48(76)44(72)39(67)31(84-53)22-79-51-46(74)41(69)36(64)28(19-61)81-51/h10,24-25,27-55,61-78H,9,11-23H2,1-8H3/t24-,25-,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1
InChI Key	FXMONPOKYCDPKD-PKCSIHSOSA-N
Purity	98%
Density	1.49±0.1 g/ml
pKa	12.82±0.70
Appearance	Solid