Methyl (1S,4aS,7aS)-7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cyclopenta[c]pyran-4-carboxylate

CAS Registry Number®

49776-64-9

CAS Name

Methyl (1S,4aS,7aS)-7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cyclopenta[c]pyran-4-carboxylate

Molecular Formula

C27H34O15

Molecular Mass

598.55

Cite this Page

Methyl (1S,4aS,7aS)-7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cyclopenta[c]pyran-4-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49776-64-9 (retrieved 2024-12-22) (CAS RN: 49776-64-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134-135 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H34O15/c1-12(28)35-9-17-7-8-18-19(25(33)34-6)10-37-26(21(17)18)42-27-24(40-16(5)32)23(39-15(4)31)22(38-14(3)30)20(41-27)11-36-13(2)29/h7,10,18,20-24,26-27H,8-9,11H2,1-6H3/t18-,20-,21-,22-,23+,24-,26+,27+/m1/s1

InChIKey

InChIKey=LKXMXUPYWQQHNY-JPGAYEHLSA-N

SMILES

O([C@H]1[C@]2([C@@](C(C(OC)=O)=CO1)(CC=C2COC(C)=O)[H])[H])[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O3

Canonical SMILES

O=C(OC)C1=COC(OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C3C(=CCC13)COC(=O)C

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, methyl ester, (1S,4aS,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1α,4aα,7aα)]-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1α-(β-D-glucosyloxy)-1,4aα,5,7aα-tetrahydro-7-(hydroxymethyl)-, methyl ester, pentaacetate
  • Methyl (1S,4aS,7aS)-7-[(acetyloxy)methyl]-1,4a,5,7a-tetrahydro-1-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cyclopenta[c]pyran-4-carboxylate
  • Geniposide pentaacetate

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