(2α,3β,4α,5α)-3-[(6-Deoxy-α-L-glucopyranosyl)oxy]-2-hydroxy-4-methylergosta-7,24(28)-dien-21-oic acid

CAS Registry Number®

1289417-63-5
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CAS Name

(2α,3β,4α,5α)-3-[(6-Deoxy-α-L-glucopyranosyl)oxy]-2-hydroxy-4-methylergosta-7,24(28)-dien-21-oic acid

Molecular Formula

C35H56O8

Molecular Mass

604.81

Cite this Page

(2α,3β,4α,5α)-3-[(6-Deoxy-α-L-glucopyranosyl)oxy]-2-hydroxy-4-methylergosta-7,24(28)-dien-21-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1289417-63-5 (retrieved 2024-05-18) (CAS RN: 1289417-63-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H56O8/c1-17(2)18(3)8-9-22(32(40)41)25-13-12-24-21-10-11-23-19(4)31(43-33-30(39)29(38)28(37)20(5)42-33)27(36)16-35(23,7)26(21)14-15-34(24,25)6/h10,17,19-20,22-31,33,36-39H,3,8-9,11-16H2,1-2,4-7H3,(H,40,41)/t19-,20-,22+,23-,24-,25+,26-,27+,28-,29+,30-,31+,33-,34-,35-/m0/s1

InChIKey

InChIKey=BFCFMIFGAHEHCB-YOIAMOGFSA-N

SMILES

C[C@@]12[C@](C=3[C@@]([C@]4(C)[C@@](CC3)([C@H](C)[C@@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](O)C4)[H])(CC1)[H])(CC[C@@]2([C@@H](CCC(C(C)C)=C)C(O)=O)[H])[H]

Canonical SMILES

O=C(O)C(CCC(=C)C(C)C)C1CCC2C3=CCC4C(C)C(OC5OC(C)C(O)C(O)C5O)C(O)CC4(C)C3CCC21C

Other Names for this Substance

  • Ergosta-7,24(28)-dien-21-oic acid, 3-[(6-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxy-4-methyl-, (2α,3β,4α,5α)-
  • (2α,3β,4α,5α)-3-[(6-Deoxy-α-L-glucopyranosyl)oxy]-2-hydroxy-4-methylergosta-7,24(28)-dien-21-oic acid
  • Fruticoside C

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