(1S,4E,8E,12Z)-14-[[O-6-Deoxy-3-O-[(2E,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

121924-09-2

CAS Name

(1S,4E,8E,12Z)-14-[[O-6-Deoxy-3-O-[(2E,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C82H134O37

Molecular Mass

1711.92

Cite this Page

(1S,4E,8E,12Z)-14-[[O-6-Deoxy-3-O-[(2E,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121924-09-2 (retrieved 2024-11-26) (CAS RN: 121924-09-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C82H134O37/c1-13-81(11,118-79-71(61(96)56(91)49(35-85)111-79)116-76-65(100)59(94)54(89)47(33-83)109-76)31-19-28-41(5)23-15-21-39(3)25-17-27-43(7)37-105-75-67(102)63(98)69(51(113-75)38-106-74-64(99)58(93)52(87)45(9)107-74)115-78-68(103)70(53(88)46(10)108-78)114-73(104)44(8)30-18-26-40(4)22-16-24-42(6)29-20-32-82(12,14-2)119-80-72(62(97)57(92)50(36-86)112-80)117-77-66(101)60(95)55(90)48(34-84)110-77/h13-14,21-22,27-30,45-72,74-80,83-103H,1-2,15-20,23-26,31-38H2,3-12H3/b39-21+,40-22+,41-28+,42-29+,43-27-,44-30+/t45-,46-,47+,48+,49+,50+,51+,52-,53-,54+,55+,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,74+,75+,76-,77-,78-,79-,80-,81+,82+/m0/s1

InChIKey

InChIKey=UVXIGOYHBNYWSC-QDMLHADKSA-N

SMILES

O([C@@H]1[C@@H](CO[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)O[C@@H](OC/C(=C\CC/C(=C/CC/C(=C/CC[C@](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H](CO)O3)(C=C)C)/C)/C)/C)[C@H](O)[C@H]1O)[C@H]5[C@H](O)[C@H](OC(/C(=C/CC/C(=C/CC/C(=C/CC[C@](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO)O6)(C=C)C)/C)/C)/C)=O)[C@@H](O)[C@H](C)O5

Canonical SMILES

O=C(OC1C(O)C(OC(C)C1O)OC2C(O)C(O)C(OCC(=CCCC(=CCCC(=CCCC(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)(C=C)C)C)C)C)OC2COC5OC(C)C(O)C(O)C5O)C(=CCCC(=CCCC(=CCCC(OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)(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,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-
  • β-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[[O-6-deoxy-3-O-[(2E,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraenyl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrienyl 2-O-β-D-glucopyranosyl-
  • (1S,4E,8E,12Z)-14-[[O-6-Deoxy-3-O-[(2E,6E,10E,14S)-14-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,10,14-tetramethyl-1-oxo-2,6,10,15-hexadecatetraen-1-yl]-α-L-mannopyranosyl-(1→4)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl]oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Capsianoside F
  • Capsianside F

CAS INSIGHTSTM
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