Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-acetate, (3β,4α,15α,16β)-
CAS Registry Number®
2777-79-9
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CAS Name
Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-acetate, (3β,4α,15α,16β)-Molecular Formula
C29H45NO8Molecular Mass
535.67Cite this Page
Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-acetate, (3β,4α,15α,16β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2777-79-9 (retrieved ) (CAS RN: 2777-79-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H45NO8/c1-14-5-8-20-26(4,34)22-16(13-30(20)12-14)17-11-27-19(28(17,35)24(33)23(22)32)7-6-18-25(27,3)10-9-21(37-15(2)31)29(18,36)38-27/h14,16-24,32-36H,5-13H2,1-4H3/t14-,16-,17-,18-,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-/m0/s1
InChIKey
InChIKey=IGDRXLIXNAWBBF-JRLIYKMQSA-N
SMILES
C[C@@]12[C@]34[C@]([C@@]5(O)[C@@](C3)([C@]6([C@]([C@@H](O)[C@@H]5O)([C@](C)(O)[C@]7(N(C6)C[C@@H](C)CC7)[H])[H])[H])[H])(CC[C@@]1([C@](O)(O4)[C@@H](OC(C)=O)CC2)[H])[H]
Canonical SMILES
O=C(OC1CCC2(C)C3CCC4C5(O)C(O)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OC13O)C
Other Names for this Substance
- Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-acetate, (3β,4α,15α,16β)-
- Cevane-3β,4β,14,15α,16β,20-hexol, 4,9-epoxy-, 3-acetate
- Zygacine
- Zygadenine 3-acetate
- Zygacin
