1,1′-[(1S,6S,7S,7aS)-4-[(Acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl] bis(3-methylbutanoate)

CAS Registry Number®

51771-49-4
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CAS Name

1,1′-[(1S,6S,7S,7aS)-4-[(Acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl] bis(3-methylbutanoate)

Molecular Formula

C22H31ClO8

Molecular Mass

458.93

Cite this Page

1,1′-[(1S,6S,7S,7aS)-4-[(Acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl] bis(3-methylbutanoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51771-49-4 (retrieved 2024-06-26) (CAS RN: 51771-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H31ClO8/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1

InChIKey

InChIKey=HHVCVAIASNFMBE-KVJIRVJXSA-N

SMILES

C(Cl)[C@]1(O)[C@@]2(C(C(COC(C)=O)=CO[C@H]2OC(CC(C)C)=O)=C[C@@H]1OC(CC(C)C)=O)[H]

Canonical SMILES

O=C(OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C2(O)CCl)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 1,1′-[(1S,6S,7S,7aS)-4-[(acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl] ester
  • Butanoic acid, 3-methyl-, 4-[(acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl ester, [1S-(1α,6α,7β,7aα)]-
  • Butanoic acid, 3-methyl-, (1S,6S,7S,7aS)-4-[(acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl ester
  • 1,1′-[(1S,6S,7S,7aS)-4-[(Acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxycyclopenta[c]pyran-1,6-diyl] bis(3-methylbutanoate)
  • Valechlorine

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