Gibb-3-ene-1,10-dicarboxylic acid, 8-[(β-D-glucopyranosyloxy)methyl]-2,4a,8-trihydroxy-1-methyl-, 1,4a-lactone, (1α,2β,4aα,4bβ,8α,10β)-
CAS Registry Number®
159858-84-1
CAS Name
Gibb-3-ene-1,10-dicarboxylic acid, 8-[(β-D-glucopyranosyloxy)methyl]-2,4a,8-trihydroxy-1-methyl-, 1,4a-lactone, (1α,2β,4aα,4bβ,8α,10β)-Molecular Formula
C25H34O12Molecular Mass
526.53Cite this Page
Gibb-3-ene-1,10-dicarboxylic acid, 8-[(β-D-glucopyranosyloxy)methyl]-2,4a,8-trihydroxy-1-methyl-, 1,4a-lactone, (1α,2β,4aα,4bβ,8α,10β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=159858-84-1 (retrieved ) (CAS RN: 159858-84-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H34O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h4-5,10-18,20,26-30,34H,2-3,6-9H2,1H3,(H,31,32)/t10-,11-,12-,13+,14-,15-,16+,17-,18-,20-,22-,23-,24+,25-/m1/s1
InChIKey
InChIKey=MYDOPTAGDBJRRW-MHDFSROXSA-N
SMILES
C(O)(=O)[C@@H]1[C@]23[C@]([C@]45[C@]1([C@](C)(C(=O)O4)[C@@H](O)C=C5)[H])(CC[C@](C2)([C@](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)(O)C3)[H])[H]
Canonical SMILES
O=C(O)C1C2C3(OC(=O)C2(C)C(O)C=C3)C4CCC5CC14CC5(O)COC6OC(CO)C(O)C(O)C6O
Other Names for this Substance
- Gibb-3-ene-1,10-dicarboxylic acid, 8-[(β-D-glucopyranosyloxy)methyl]-2,4a,8-trihydroxy-1-methyl-, 1,4a-lactone, (1α,2β,4aα,4bβ,8α,10β)-
