Solasodine

CAS Registry Number®

126-17-0

CAS Name

Solasodine

Molecular Formula

C27H43NO2

Molecular Mass

413.64

Cite this Page

Solasodine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126-17-0 (retrieved 2024-11-22) (CAS RN: 126-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-202 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=KWVISVAMQJWJSZ-VKROHFNGSA-N

SMILES

C[C@@H]1[C@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)C(=CC5)C[C@@H](O)CC6)[H])[H])[H])[H])[H])CC[C@@H](C)CN2

Canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3CC5OC6(NCC(C)CC6)C(C)C54)C2(C)CC1

Other Names for this Substance

  • Spirosol-5-en-3-ol, (3β,22α,25R)-
  • Solasod-5-en-3β-ol
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-piperidine], spirosol-5-en-3-ol deriv.
  • (3β,22α,25R)-Spirosol-5-en-3-ol
  • Purapuridine

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