2-{[(2R,4S,5R,6aS,7aR,8aS,10Z,12aR,13aS,15aR,16aS,17aR,19R,21S,21aS,22aR,23aS,24aR,26aS,27aR,29Z,30aS,31aR)-5-(Carboxymethyl)-4,21-dihydroxy-2,13a,23a-trimethyl-1,2,3,4,5,6a,7,7a,8a,9,12,12a,13a,14,15 ,15a,16a,17,17a,19,20,21,21a,22a,23,23a,24a,25,26,26a,27a,28,30a,31a-tetratriacontahydrooxocino[2'',3'':5',6']pyrano[2',3':7,8]oxocino[3,2-b]pyrano[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyran o[2'',3'':6',7']oxepino[2',3':6,7]oxepino[2,3-h]oxonin-19-yl]methyl}acrylic acid

More details:

• Systematic name

  2-{[(2R,4S,5R,6aS,7aR,8aS,10Z,12aR,13aS,15aR,16aS,17aR,19R,21S,21aS,22aR,23aS,24aR,26aS,27aR,29Z,30aS,31aR)-5-(Carboxymethyl)-4,21-dihydroxy-2,13a,23a-trimethyl-1,2,3,4,5,6a,7,7a,8a,9,12,12a,13a,14,15 ,15a,16a,17,17a,19,20,21,21a,22a,23,23a,24a,25,26,26a,27a,28,30a,31a-tetratriacontahydrooxocino[2'',3'':5',6']pyrano[2',3':7,8]oxocino[3,2-b]pyrano[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyran o[2'',3'':6',7']oxepino[2',3':6,7]oxepino[2,3-h]oxonin-19-yl]methyl}acrylic acid

• SMILES

  C[C@@H]1C[C@@H]([C@H](O[C@H]2C[C@@H]3[C@H](/C=C\C[C@@H]4[C@@H](O3)C/C=C\C[C@@H]5[C@@H](O4)CC[C@@H]6[C@@](O5)(CC[C@@H]7[C@@](O6)(C[C@@H]8[C@@H](O7)C[C@@H]9[C@@H](O8)[C@H](C[C@H](O9)CC(=C)C(=O)O)O)C)C)O[C@@H]2C1)CC(=O)O)O

• Std. InChi

  InChI=1S/C47H68O15/c1-24-16-27(48)34(22-43(50)51)58-37-20-36-31(57-35(37)17-24)11-7-10-30-29(56-36)8-5-6-9-33-32(55-30)12-13-42-46(3,61-33)15-14-41-47(4,62-42)23-40-38(59-41)21-39-44(60-40)28(49)19-26(54-39)18-25(2)45(52)53/h5-7,11,24,26-42,44,48-49H,2,8-10,12-23H2,1,3-4H3,(H,50,51)(H,52,53)/b6-5-,11-7-/t24-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39-,40-,41-,42-,44+,46+,47+/m1/s1

• Std. InChIKey

  HBYAWJLOZIAMJW-CDTVLHGMSA-N

• Cite this record

  CSID:58196507, http://www.chemspider.com/Chemical-Structure.58196507.html (accessed 10:39, Apr 26, 2024)