Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-20,22,27-trihydroxy-1-oxo-, δ-lactone, (3β,22R)-

CAS Registry Number®

227179-09-1
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CAS Name

Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-20,22,27-trihydroxy-1-oxo-, δ-lactone, (3β,22R)-

Molecular Formula

C34H50O11

Molecular Mass

634.75

Cite this Page

Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-20,22,27-trihydroxy-1-oxo-, δ-lactone, (3β,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=227179-09-1 (retrieved 2024-09-19) (CAS RN: 227179-09-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H50O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h5,18-19,21-24,26-29,31,35-36,38-40,42H,6-15H2,1-4H3/t18-,19+,21+,22+,23-,24+,26-,27-,28+,29-,31-,32+,33+,34-/m1/s1

InChIKey

InChIKey=OJRQAQMTUKIJMK-ZQZNKOBESA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC4=O)(CC1)[H])[H])(CC[C@@]2([C@@](C)(O)[C@]6(CC(C)=C(CO)C(=O)O6)[H])[H])[H]

Canonical SMILES

O=C1OC(CC(=C1CO)C)C(O)(C)C2CCC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(=O)C5(C)C4CCC32C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-20,22,27-trihydroxy-1-oxo-, δ-lactone, (3β,22R)-