Valtrate

CAS Registry Number®

18296-44-1
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CAS Name

Valtrate

Molecular Formula

C22H30O8

Molecular Mass

422.47

Cite this Page

Valtrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18296-44-1 (retrieved 2024-04-25) (CAS RN: 18296-44-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1

InChIKey

InChIKey=BDIAUFOIMFAIPU-KVJIRVJXSA-N

SMILES

O(C(CC(C)C)=O)[C@@H]1[C@@]2([C@@]3(C(=C1)C(COC(C)=O)=CO[C@H]3OC(CC(C)C)=O)[H])CO2

Canonical SMILES

O=C(OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C32OC3)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 1,1′-[(1S,2′R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl] ester
  • Butanoic acid, 3-methyl-, 4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester, [1S-(1α,6α,7β,7aα)]-
  • Butanoic acid, 3-methyl-, (1S,2′R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester
  • Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane], butanoic acid deriv.
  • Valepotriate

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Deleted or Replaced CAS Registry Numbers

5372-75-8, 15769-76-3, 25166-79-4

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