L-erythro-L-glycero-D-altro-7-Trideculo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13-pentadeoxy-12-(phenylmethyl)-, 11-acetate 5-[(4E,6R)-6-methyl-9-phenyl-4-nonenoate], (7S)-

CAS Registry Number®

146389-62-0
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CAS Name

L-erythro-L-glycero-D-altro-7-Trideculo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13-pentadeoxy-12-(phenylmethyl)-, 11-acetate 5-[(4E,6R)-6-methyl-9-phenyl-4-nonenoate], (7S)-

Molecular Formula

C40H50O14

Molecular Mass

754.82

Cite this Page

L-erythro-L-glycero-D-altro-7-Trideculo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13-pentadeoxy-12-(phenylmethyl)-, 11-acetate 5-[(4E,6R)-6-methyl-9-phenyl-4-nonenoate], (7S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146389-62-0 (retrieved 2024-05-18) (CAS RN: 146389-62-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1

InChIKey

InChIKey=KQMNJFMTGHRJHM-ZFSXNWTMSA-N

SMILES

C(O)(=O)[C@]12[C@H](OC(CC/C=C/[C@@H](CCCC3=CC=CC=C3)C)=O)[C@@H](O)[C@](CCC[C@H]([C@@H](CC4=CC=CC=C4)C)OC(C)=O)(O1)O[C@H](C(O)=O)[C@]2(C(O)=O)O

Canonical SMILES

O=C(O)C1OC2(OC(C(=O)O)(C(OC(=O)CCC=CC(C)CCCC=3C=CC=CC3)C2O)C1(O)C(=O)O)CCCC(OC(=O)C)C(C)CC=4C=CC=CC4

Other Names for this Substance

  • L-erythro-L-glycero-D-altro-7-Trideculo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13-pentadeoxy-12-(phenylmethyl)-, 11-acetate 5-[(4E,6R)-6-methyl-9-phenyl-4-nonenoate], (7S)-
  • L-erythro-L-glycero-D-altro-7-Trideculo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,12,13-pentadeoxy-12-(phenylmethyl)-, 11-acetate 5-(6-methyl-9-phenyl-4-nonenoate), [5(4E,6R),7S]-
  • 2,8-Dioxabicyclo[3.2.1]octane, L-erythro-L-glycero-D-altro-7-trideculo-7,4-furanosonic acid deriv.
  • Zaragozic acid C
  • L 697350

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