5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-, (5Z)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)

CAS Registry Number®

77698-96-5

CAS Name

5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-, (5Z)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)

Molecular Formula

C24H32O7.C4H11NO3

Cite this Page

5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-, (5Z)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77698-96-5 (retrieved 2024-11-05) (CAS RN: 77698-96-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O7.C4H11NO3/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18;5-4(1-6,2-7)3-8/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28);6-8H,1-3,5H2/b6-1-,13-12+;/t19-,20-,21+,22-;/m1./s1

InChIKey

InChIKey=RRQXRDGMMDFCRO-RZCYEVPXSA-N

SMILES

C(=C/[C@@H]1[C@@H](C/C=C\CCCC(O)=O)[C@@H](O)C[C@H]1O)\C2(COC3=CC=CC=C3)OCCO2.C(CO)(CO)(CO)N

Canonical SMILES

O=C(O)CCCC=CCC1C(O)CC(O)C1C=CC2(OCCO2)COC=3C=CC=CC3.OCC(N)(CO)CO

Other Names for this Substance

  • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-, (5Z)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
  • 5-Heptenoic acid, 7-[3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-, [1R-[1α(Z),2β(E),3α,5α]]-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, [1R-[1α(Z),2β(E),3α,5α]]-7-[3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-5-heptenoate (salt)
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-5-heptenoate (salt)
  • ZK 71677

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CAS INSIGHTSTM
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