Description
IUPAC Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
InChI: InChI=1S/C65H106O30/c1-24(2)27-12-17-65(60(83)95-58-50(81)45(76)40(71)31(90-58)22-84-54-51(82)46(77)52(30(21-67)89-54)93-55-47(78)42(73)37(68)25(3)86-55)19-18-63(8)28(36(27)65)10-11-34-62(7)15-14-35(61(5,6)33(62)13-16-64(34,63)9)92-59-53(94-56-48(79)43(74)38(69)26(4)87-56)41(72)32(23-85-59)91-57-49(80)44(75)39(70)29(20-66)88-57/h25-59,66-82H,1,10-23H2,2-9H3/t25-,26-,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-,56-,57-,58-,59-,62-,63+,64+,65-/m0/s1
InChIKey: ACOGFPXROAGALT-JMUYJUJMSA-N
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@]8(CC[C@@H](C([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C(=C)C)O)O)O)CO)O)O)O
Synonyms: 261767-91-3; TS-10589; D84976; 3-O-D-glucopyranosyl( 1 inverted exclamation marku3)-L-rhamnopyranosyl(1 inverted exclamation marku2)-L-arabinopyranosyl Oleanolic acid C 28-O-rhamnopyranosyl(1 inverted exclamation marku4)glucopyranosyl(1 inverted exclamation marku6)glucopyranoside
Botanical Source: