Protoveratrine B

CAS Registry Number®

124-97-0
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CAS Name

Protoveratrine B

Molecular Formula

C41H63NO15

Molecular Mass

809.94

Cite this Page

Protoveratrine B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124-97-0 (retrieved 2024-05-06) (CAS RN: 124-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    269-270 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37+,38+,39+,40-,41+/m0/s1

InChIKey

InChIKey=BFLXOMFFVWQPAZ-CEEVVQPDSA-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@]([C@@H](C)O)(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)C(O)C)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-[(2R,3R)-2,3-dihydroxy-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-[threo-(+)-2,3-dihydroxy-2-methylbutyrate] 15-[(-)-(2R)-methylbutyrate]
  • Protoveratrine B
  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2,3-dihydroxy-2-methylbutanoate) 15-(2-methylbutanoate), [3β(2R,3R),4α,6α,7α,15α(R),16β]-
  • Neoprotoveratrine

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