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19-Norlanost-5-en-11-one, 3-[(6-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-16,20,22,25-tetrahydroxy-9-methyl-, (3I(2),9I(2),10I+/-,16I+/-)-
CAS Number: 178062-94-7
IUPAC name: (3S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Molecular formula: C42H70O16
Molecular weight: 831.0
InChI: InChI=1S/C42H70O16/c1-37(2,53)14-13-25(45)42(8,54)34-21(44)15-39(5)24-11-9-19-20(41(24,7)26(46)16-40(34,39)6)10-12-27(38(19,3)4)58-36-33(52)31(50)29(48)23(57-36)18-55-35-32(51)30(49)28(47)22(17-43)56-35/h9,20-25,27-36,43-45,47-54H,10-18H2,1-8H3/t20-,21-,22-,23-,24+,25?,27+,28-,29-,30+,31+,32-,33-,34+,35-,36+,39+,40-,41+,42+/m1/s1
InChIKey: RLSXWJUYUFUJLU-SRFJWJPASA-N
SMILES: C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)[C@](C)(C(CCC(C)(C)O)O)O)O
EINECS: -
