Protoveratrine A

CAS Registry Number®

143-57-7

CAS Name

Protoveratrine A

Molecular Formula

C41H63NO14

Molecular Mass

793.94

Cite this Page

Protoveratrine A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143-57-7 (retrieved 2024-11-22) (CAS RN: 143-57-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    265-267 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1

InChIKey

InChIKey=HYTGGNIMZXFORS-MGYKWWNKSA-N

SMILES

C[C@@]12[C@]34[C@]([C@@]5(O)[C@@](C3)([C@]6([C@]([C@@H](O)[C@@H]5OC([C@@H](CC)C)=O)([C@](C)(O)[C@]7(N(C6)C[C@@H](C)CC7)[H])[H])[H])[H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1([C@](O)(O4)[C@@H](OC([C@@](CC)(C)O)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1C(OC(=O)C)C2C3(O)C(OC(=O)C(C)CC)C(O)C4C(CN5CC(C)CCC5C4(O)C)C3CC62OC7(O)C(OC(=O)C(O)(C)CC)CCC6(C)C17)C

Other Names for this Substance

  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate], (3β,4α,6α,7α,15α,16β)-
  • Cevane-3β,4β,6α,7α,14,15α,16β,20-octol, 4,9-epoxy-, 6,7-diacetate 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), [3β(S),4α,6α,7α,15α(R),16β]-
  • Protoverine, 6,7-diacetate 3-(2-hydroxy-2-methylbutyrate) 15-(2-methylbutyrate)
  • 2H-4,16a-Epoxybenzo[7,8]fluoreno[2,1-b]quinolizine, cevane-3,4,6,7,14,15,16,20-octol deriv.

View All

Deleted or Replaced CAS Registry Numbers

1360-61-8, 11016-42-5

CAS INSIGHTSTM
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