Monoacetoxyscirpenol
CAS Registry Number®
2531-11-5
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CAS Name
MonoacetoxyscirpenolMolecular Formula
C17H24O6Molecular Mass
324.37Cite this Page
Monoacetoxyscirpenol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=174421-34-2 (retrieved ) (CAS RN: 2531-11-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
75-80 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(20)13(22-10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKey
InChIKey=YIFMFXZUYBFVFL-OINWIYPRSA-N
SMILES
C[C@@]12[C@@]3([C@@]([C@H](O)[C@H]1OC(C)=O)(O[C@]4([C@]2(CO)CCC(C)=C4)[H])[H])CO3
Canonical SMILES
O=C(OC1C(O)C2OC3C=C(C)CCC3(CO)C1(C)C42OC4)C
Other Names for this Substance
- Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3α,4β)-
- Trichothec-9-ene-3α,4β,15-triol, 12,13-epoxy-, 4-acetate
- Scirp-9-ene-3α,4β,15-triol, 4-acetate
- 4-Acetoxyscirpenol
- 4-O-Acetylscirpenol
Deleted or Replaced CAS Registry Numbers
96699-75-1, 852226-68-7, 174421-34-2
