(2α,3β,4α,5α)-2-(Acetyloxy)-3-[(6-deoxy-α-L-glucopyranosyl)oxy]-4-methylergosta-7,24(28)-diene-21-thioic acid

CAS Registry Number®

1289417-69-1

CAS Name

(2α,3β,4α,5α)-2-(Acetyloxy)-3-[(6-deoxy-α-L-glucopyranosyl)oxy]-4-methylergosta-7,24(28)-diene-21-thioic acid

Molecular Formula

C37H58O8S

Molecular Mass

662.92

Cite this Page

(2α,3β,4α,5α)-2-(Acetyloxy)-3-[(6-deoxy-α-L-glucopyranosyl)oxy]-4-methylergosta-7,24(28)-diene-21-thioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1289417-69-1 (retrieved 2024-11-13) (CAS RN: 1289417-69-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-211 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H58O8S/c1-18(2)19(3)9-10-24(34(42)46)27-14-13-26-23-11-12-25-20(4)33(45-35-32(41)31(40)30(39)21(5)43-35)29(44-22(6)38)17-37(25,8)28(23)15-16-36(26,27)7/h11,18,20-21,24-33,35,39-41H,3,9-10,12-17H2,1-2,4-8H3,(H,42,46)/t20-,21-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36-,37-/m0/s1

InChIKey

InChIKey=ULGWPYHCJGMHRG-HAXSJUCQSA-N

SMILES

C[C@@]12[C@@]3(C([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(C(C)C)=C)C(=O)S)(CC4)[H])[H])=CC[C@]1([C@H](C)[C@@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](OC(C)=O)C2)[H])[H]

Canonical SMILES

O=C(OC1CC2(C)C3C(=CCC2C(C)C1OC4OC(C)C(O)C(O)C4O)C5CCC(C(C(=O)S)CCC(=C)C(C)C)C5(C)CC3)C

Other Names for this Substance

  • Ergosta-7,24(28)-diene-21-thioic acid, 2-(acetyloxy)-3-[(6-deoxy-α-L-glucopyranosyl)oxy]-4-methyl-, (2α,3β,4α,5α)-
  • (2α,3β,4α,5α)-2-(Acetyloxy)-3-[(6-deoxy-α-L-glucopyranosyl)oxy]-4-methylergosta-7,24(28)-diene-21-thioic acid
  • Fruticoside F

CAS INSIGHTSTM
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