Ergostan-26-oic acid, 5,6-epoxy-3,4,20,22,24,25-hexahydroxy-1-oxo-, δ-lactone, (3β,4β,22S,24S,25R)-

CAS Registry Number®

131749-58-1

CAS Name

Ergostan-26-oic acid, 5,6-epoxy-3,4,20,22,24,25-hexahydroxy-1-oxo-, δ-lactone, (3β,4β,22S,24S,25R)-

Molecular Formula

C28H42O9

Molecular Mass

522.63

Cite this Page

Ergostan-26-oic acid, 5,6-epoxy-3,4,20,22,24,25-hexahydroxy-1-oxo-, δ-lactone, (3β,4β,22S,24S,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131749-58-1 (retrieved 2024-11-05) (CAS RN: 131749-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H42O9/c1-23-9-8-15-13(10-19-28(37-19)21(31)16(29)11-18(30)25(15,28)3)14(23)6-7-17(23)26(4,34)20-12-24(2,33)27(5,35)22(32)36-20/h13-17,19-21,29,31,33-35H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,19?,20-,21-,23-,24-,25-,26+,27-,28?/m0/s1

InChIKey

InChIKey=OREAQOXKZSQPCV-RJMVIQDZSA-N

SMILES

C[C@]12C3(C(O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4(CC[C@@]5([C@@](C)(O)[C@@]6(C[C@](C)(O)[C@@](C)(O)C(=O)O6)[H])[H])[H])[H])[H])[H])[C@@H](O)[C@@H](O)CC2=O

Canonical SMILES

O=C1OC(CC(O)(C)C1(O)C)C(O)(C)C2CCC3C4CC5OC65C(O)C(O)CC(=O)C6(C)C4CCC32C

Other Names for this Substance

  • Ergostan-26-oic acid, 5,6-epoxy-3,4,20,22,24,25-hexahydroxy-1-oxo-, δ-lactone, (3β,4β,22S,24S,25R)-

CAS INSIGHTSTM
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