[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate

CAS Registry Number®

22595-00-2
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CAS Name

[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate

Molecular Formula

C31H45NO8

Molecular Mass

559.69

Cite this Page

[(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22595-00-2 (retrieved 2024-08-19) (CAS RN: 22595-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22-,24-,25-,26-,27+,28-,31+/m1/s1

InChIKey

InChIKey=FQXZITIIHQHGBC-KRYJLITLSA-N

SMILES

O(C1=C(CC=C(C)C)C=C(C(OC[C@@H]2[C@@]3(N(CC2)CCC3)[H])=O)C=C1CC=C(C)C)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(OCC1CCN2CCCC21)C=3C=C(C(OC4OC(CO)C(O)C(O)C4O)=C(C3)CC=C(C)C)CC=C(C)C

Other Names for this Substance

  • Benzoic acid, 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)-, [(1S,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester
  • Laburnine, 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-butenyl)benzoate (ester)
  • Benzoic acid, 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-butenyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-cis)-
  • Benzoic acid, 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-butenyl)-, [(1S,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester
  • [(1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl 4-(β-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate

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