Montanol

CAS Registry Number®

71117-50-5

CAS Name

Montanol

Molecular Formula

C21H36O4

Molecular Mass

352.51

Cite this Page

Montanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71117-50-5 (retrieved 2024-12-23) (CAS RN: 71117-50-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    59-60 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,13,15-16,20,22,24H,6-9,11-12,14H2,1-5H3/b17-13+,18-10+/t16-,20-,21+/m1/s1

InChIKey

InChIKey=CFWFJIRDZVFKJB-GRZKGYEASA-N

SMILES

C(CC[C@H](C(/C=C(/C(C)C)\C)=O)C)[C@]1(C)OC\C(=C\CO)\CC[C@H]1O

Canonical SMILES

O=C(C=C(C)C(C)C)C(C)CCCC1(OCC(=CCO)CCC1O)C

Other Names for this Substance

  • 3-Nonen-5-one, 9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,3,6-trimethyl-, (3E,6R)-
  • 3-Nonen-5-one, 9-[3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,3,6-trimethyl-, [2S-[2α(3E,6S*),3β,6E]]-
  • Oxepane, 3-nonen-5-one deriv.
  • (3E,6R)-9-[(2S,3R,6E)-3-Hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,3,6-trimethyl-3-nonen-5-one
  • Montanol

CAS INSIGHTSTM
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