Spirosol-5-en-3-ol, 28-acetyl-, 3-acetate, (3β,22α,25R)-

CAS Registry Number®

4860-15-5
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CAS Name

Spirosol-5-en-3-ol, 28-acetyl-, 3-acetate, (3β,22α,25R)-

Molecular Formula

C31H47NO4

Molecular Mass

497.71

Cite this Page

Spirosol-5-en-3-ol, 28-acetyl-, 3-acetate, (3β,22α,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4860-15-5 (retrieved 2024-08-19) (CAS RN: 4860-15-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-166 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H47NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h7,18-19,23-28H,8-17H2,1-6H3/t18-,19+,23+,24-,25+,26+,27+,28+,29+,30+,31-/m1/s1

InChIKey

InChIKey=CUIHFVBXGFUGAP-KFQJCUQPSA-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](OC(C)=O)CC6)[H])[H])[H])[H])[H])N(C(C)=O)C[C@H](C)CC2

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C3CC5OC6(N(C(=O)C)CC(C)CC6)C(C)C54)C2(C)CC1)C

Other Names for this Substance

  • Spirosol-5-en-3-ol, 28-acetyl-, 3-acetate, (3β,22α,25R)-
  • Solasod-5-en-3β-ol, N-acetyl-, acetate (ester)
  • Spirosol-5-en-3-ol, 28-acetyl-, acetate (ester), (3β,22α,25R)-
  • Solasodine, N-acetyl-, acetate
  • Solasodine, N,O-diacetyl-

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Deleted or Replaced CAS Registry Numbers

620610-46-0