(3β,22α,25R)-28-Acetylspirosol-5-en-3-ol

CAS Registry Number®

58822-29-0
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CAS Name

(3β,22α,25R)-28-Acetylspirosol-5-en-3-ol

Molecular Formula

C29H45NO3

Molecular Mass

455.67

Cite this Page

(3β,22α,25R)-28-Acetylspirosol-5-en-3-ol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58822-29-0 (retrieved 2024-08-14) (CAS RN: 58822-29-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    208-210 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H45NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,32H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1

InChIKey

InChIKey=JXAZKNVJWYDQJY-IKEOEMBBSA-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])N(C(C)=O)C[C@H](C)CC2

Canonical SMILES

O=C(N1CC(C)CCC21OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C

Other Names for this Substance

  • Spirosol-5-en-3-ol, 28-acetyl-, (3β,22α,25R)-
  • (3β,22α,25R)-28-Acetylspirosol-5-en-3-ol
  • N-Acetylsolasodine

Deleted or Replaced CAS Registry Numbers

103672-53-3