Sabadine
CAS Registry Number®
124-80-1
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CAS Name
SabadineMolecular Formula
C29H47NO8Molecular Mass
537.69Cite this Page
Sabadine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=124-80-1 (retrieved ) (CAS RN: 124-80-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
258 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C29H47NO8/c1-15-5-8-22-26(4,34)29(37)21(14-30(22)13-15)28(36)11-19-17(27(28,35)12-23(29)32)6-7-18-24(33)20(38-16(2)31)9-10-25(18,19)3/h15,17-24,32-37H,5-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-/m0/s1
InChIKey
InChIKey=IJZIXCZIZHENJV-ONCBQHFTSA-N
SMILES
O[C@]12[C@](O)([C@]3([C@](C1)([C@]4(C)[C@](CC3)([C@H](O)[C@@H](OC(C)=O)CC4)[H])[H])[H])C[C@H](O)[C@@]5(O)[C@]2(CN6[C@]([C@@]5(C)O)(CC[C@H](C)C6)[H])[H]
Canonical SMILES
O=C(OC1CCC2(C)C(CCC3C2CC4(O)C5CN6CC(C)CCC6C(O)(C)C5(O)C(O)CC34O)C1O)C
Other Names for this Substance
- Cevane-3,4,12,14,16,17,20-heptol, 3-acetate, (3β,4α,16β)-
- Sabadine
