Yunnaneic acid F

CAS Registry Number®

199433-61-9

CAS Name

Yunnaneic acid F

Molecular Formula

C29H26O14

Molecular Mass

598.51

Cite this Page

Yunnaneic acid F.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=199433-61-9 (retrieved 2024-11-24) (CAS RN: 199433-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H26O14/c30-16-4-1-12(7-18(16)32)8-20(26(36)37)42-21(34)6-3-14-9-15-23(13-2-5-17(31)19(33)10-13)24(27(38)39)25(14)29(41)28(15,40)11-22(35)43-29/h1-7,9-10,15,20,23-25,30-33,40-41H,8,11H2,(H,36,37)(H,38,39)/b6-3+/t15-,20-,23+,24-,25+,28+,29+/m1/s1

InChIKey

InChIKey=WBHJCHGJGDMNFI-KLFGPECSSA-N

SMILES

O[C@]12[C@@]3([C@H](C(O)=O)[C@H]([C@]([C@@]1(O)CC(=O)O2)(C=C3/C=C/C(O[C@H](CC4=CC(O)=C(O)C=C4)C(O)=O)=O)[H])C5=CC(O)=C(O)C=C5)[H]

Canonical SMILES

O=C(O)C(OC(=O)C=CC1=CC2C(C3=CC=C(O)C(O)=C3)C(C(=O)O)C1C4(O)OC(=O)CC24O)CC5=CC=C(O)C(O)=C5

Other Names for this Substance

  • 4,7-Ethanobenzofuran-8-carboxylic acid, 6-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-9-(3,4-dihydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-3a,7a-dihydroxy-2-oxo-, (3aS,4R,7R,7aS,8R,9S)-
  • 4,7-Ethanobenzofuran-8-carboxylic acid, 6-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-9-(3,4-dihydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-3a,7a-dihydroxy-2-oxo-, [3aS-[3aα,4α,6[E(S*)],7α,7aα,8S*,9R*]]-
  • 4,7-Ethanobenzofuran-8-carboxylic acid, 6-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-9-(3,4-dihydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-3a,7a-dihydroxy-2-oxo-, (3aS,4R,7R,7aS,8R,9S)-
  • (3aS,4R,7R,7aS,8R,9S)-6-[(1E)-3-[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-9-(3,4-dihydroxyphenyl)-2,3,3a,4,7,7a-hexahydro-3a,7a-dihydroxy-2-oxo-4,7-ethanobenzofuran-8-carboxylic acid
  • Yunnaneic acid F

CAS INSIGHTSTM
Hourglass and a clock