Didrovaltrate

CAS Registry Number®

18296-45-2
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CAS Name

Didrovaltrate

Molecular Formula

C22H32O8

Molecular Mass

424.48

Cite this Page

Didrovaltrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18296-45-2 (retrieved 2024-04-29) (CAS RN: 18296-45-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    63-64 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1

InChIKey

InChIKey=PHHROXLDZHUIGO-PNBTUHDLSA-N

SMILES

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

Canonical SMILES

O=C(OC1CC2C(=COC(OC(=O)CC(C)C)C2C31OC3)COC(=O)CC(C)C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (1S,2′R,4aS,6S,7aS)-6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester
  • Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester, [1S-(1α,4aα,6α,7β,7aα)]-
  • Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane], butanoic acid deriv.
  • Didrovaltratum
  • Dihydroisovalepotriate

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Deleted or Replaced CAS Registry Numbers

16088-53-2, 31078-11-2

CAS INSIGHTSTM
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