(4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-Dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-4,8,10,12,14,16,18-docosaheptaenoic acid

CAS Registry Number®

945217-35-6

CAS Name

(4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-Dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-4,8,10,12,14,16,18-docosaheptaenoic acid

Molecular Formula

C49H76O11

Molecular Mass

841.12

Cite this Page

(4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-Dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-4,8,10,12,14,16,18-docosaheptaenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=945217-35-6 (retrieved 2024-11-05) (CAS RN: 945217-35-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H76O11/c1-34(22-17-13-11-9-8-10-12-14-19-24-40(50)30-35(2)28-29-46(54)55)31-43(52)37(4)45-32-41(51)25-21-27-42(59-7)26-20-16-15-18-23-36(3)48(57)39(6)49(58)38(5)44(53)33-47(56)60-45/h8-20,22,30-31,36-45,48-53,57-58H,21,23-29,32-33H2,1-7H3,(H,54,55)/b9-8+,12-10+,13-11+,18-15+,19-14+,20-16-,22-17+,34-31+,35-30+/t36-,37+,38+,39-,40-,41+,42+,43+,44+,45-,48+,49-/m0/s1

InChIKey

InChIKey=VHPBIOVAVQXSJO-DLGDGFEOSA-N

SMILES

[C@H]([C@@H](/C=C(/C=C/C=C/C=C/C=C/C=C/C[C@@H](/C=C(/CCC(O)=O)\C)O)\C)O)(C)[C@]1(OC(=O)C[C@@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)C/C=C/C=C\C[C@@H](OC)CCC[C@@H](O)C1)[H]

Canonical SMILES

O=C(O)CCC(=CC(O)CC=CC=CC=CC=CC=CC(=CC(O)C(C)C1OC(=O)CC(O)C(C)C(O)C(C)C(O)C(C)CC=CC=CCC(OC)CCCC(O)C1)C)C

Other Names for this Substance

  • 4,8,10,12,14,16,18-Docosaheptaenoic acid, 6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-, (4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-
  • (4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-Dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-4,8,10,12,14,16,18-docosaheptaenoic acid
  • Etnangien
  • (+)-Etnangien

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles