Current position:Home >Product >

(2S,3S,3aS,5aR,5bR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5a,5b,8,11a-tetramethyl-3-[(2S)-1-oxidanylpropan-2-yl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid

Systemtic Name:	(2S,3S,3aS,5aR,5bR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5a,5b,8,11a-tetramethyl-3-[(2S)-1-oxidanylpropan-2-yl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid
Openeye Name:	(2S,3S,3aS,5aR,5bR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]-3-[(1S)-2-hydroxy-1-methyl-ethyl]-5a,5b,8,11a-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid
CAS Name:	(2S,3S,3aS,5aR,5bR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]-3-[(2S)-1-hydroxypropan-2-yl]-5a,5b,8,11a-tetramethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid
IUPAC Name:	(2S,3S,3aS,5aR,5bR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3-[(2S)-1-hydroxypropan-2-yl]-5a,5b,8,11a-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid
Traditional Name:	(2S,3S,3aS,5aR,5bR,8S,11aR,11bR,13aS,13bR)-8-[[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]-3-[(1S)-2-hydroxy-1-methyl-ethyl]-5a,5b,8,11a-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-13b-carboxylic acid
Formula:	C₅₃H₈₈O₂₄
MolecularWeight:	1109.25142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1C2CCC3(C(C2(CC1OC4C(C(C(C(O4)CO)O)O)O)C(=O)O)CCC5C3(CCC6C5(CCCC6(C)COC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)OC9C(C(C(O9)CO)O)O)C)C)C

Isomeric SMILES

C[C@H](CO)[C@@H]1[C@@H]2CC[C@@]3([C@@H]([C@]2(C[C@@H]1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)CC[C@H]5[C@]3(CCC6[C@@]5(CCC[C@]6(C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C

InChI

InChI=1S/C53H88O24/c1-22(16-54)32-23-9-13-52(5)31(53(23,48(68)69)15-24(32)72-45-42(67)38(63)34(59)26(18-56)74-45)8-7-30-50(3)12-6-11-49(2,29(50)10-14-51(30,52)4)21-71-47-43(77-46-40(65)35(60)27(19-57)75-46)39(64)36(61)28(76-47)20-70-44-41(66)37(62)33(58)25(17-55)73-44/h22-47,54-67H,6-21H2,1-5H3,(H,68,69)/t22-,23+,24+,25-,26-,27+,28-,29?,30-,31+,32-,33-,34-,35+,36-,37+,38+,39+,40-,41-,42-,43-,44-,45-,46+,47-,49-,50+,51-,52-,53-/m1/s1

Other Product