Bullatine C

CAS Registry Number®

1354-86-5

CAS Name

Bullatine C

Molecular Formula

C26H41NO7

Molecular Mass

479.61

Cite this Page

Bullatine C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1354-86-5 (retrieved 2024-11-29) (CAS RN: 1354-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H41NO7/c1-6-27-11-24(12-31-3)8-7-17(29)26-15-9-14-16(32-4)10-25(30,18(15)20(14)34-13(2)28)19(23(26)27)21(33-5)22(24)26/h14-23,29-30H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20+,21+,22-,23-,24+,25-,26+/m1/s1

InChIKey

InChIKey=RVSYWRBZSPBTQV-DKHSYLGWSA-N

SMILES

O[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(O)[C@@]6([C@]3(C[C@@]([C@@H]6OC(C)=O)([C@@H](OC)C5)[H])[H])[H])[H])[H])CC1)[H]

Canonical SMILES

O=C(OC1C2CC3C1C(O)(CC2OC)C4C(OC)C5C6(COC)CN(CC)C4C35C(O)CC6)C

Other Names for this Substance

  • Aconitane-1,8,14-triol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 14-acetate, (1α,6α,14α,16β)-
  • Bullatine B, acetate
  • Bullatine C
  • Bullatine B 14-acetate
  • Neoline 14-acetate

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