β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[[O-6-deoxy-3-O-[(2E,4R,6E,10E,14S)-14-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraenyl]-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrienyl 2-O-β-D-glucopyranosyl-

CAS Registry Number®

121924-07-0
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CAS Name

β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[[O-6-deoxy-3-O-[(2E,4R,6E,10E,14S)-14-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraenyl]-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrienyl 2-O-β-D-glucopyranosyl-

Molecular Formula

C76H124O33

Molecular Mass

1565.78

Cite this Page

β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[[O-6-deoxy-3-O-[(2E,4R,6E,10E,14S)-14-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraenyl]-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrienyl 2-O-β-D-glucopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121924-07-0 (retrieved 2024-09-20) (CAS RN: 121924-07-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C76H124O33/c1-13-75(11,108-73-62(93)57(88)53(84)47(33-78)102-73)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-65-50(81)43(9)100-70(63(65)94)98-36-49-55(86)58(89)61(92)72(104-49)106-66-51(82)44(10)99-69(64(66)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(59(90)54(85)48(34-79)103-74)107-71-60(91)56(87)52(83)46(32-77)101-71/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20+,38-27+,39-26+,40-24+,41-25-,42-31+/t43-,44-,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,69+,70+,71-,72-,73-,74-,75+,76+/m0/s1

InChIKey

InChIKey=PRLBTECIKSGMOX-YPPHHTDVSA-N

SMILES

O([C@@](CC/C=C(/CC/C=C(/CC/C=C(\CO[C@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](CO[C@H]3[C@H](O)[C@H](OC(/C(=C/[C@@H](C/C(=C/CC/C(=C/CC[C@](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)(C=C)C)/C)/C)O)/C)=O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](C)O1)/C)\C)\C)(C=C)C)[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](CO)O5

Canonical SMILES

O=C(OC1C(O)C(OCC2OC(OC3C(O)C(OCC(=CCCC(=CCCC(=CCCC(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5O)(C=C)C)C)C)C)OC(C)C3O)C(O)C(O)C2O)OC(C)C1O)C(=CC(O)CC(=CCCC(=CCCC(OC6OC(CO)C(O)C(O)C6O)(C=C)C)C)C)C

Other Names for this Substance

  • β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[[O-6-deoxy-3-O-[(2E,4R,6E,10E,14S)-14-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraenyl]-α-L-mannopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrienyl 2-O-β-D-glucopyranosyl-
  • Capsianside B
  • Capsianoside B