Spirostan-12-one, 3-(β-D-galactopyranosyloxy)-, (3β,5α,25R)-

CAS Registry Number®

56857-65-9

CAS Name

Spirostan-12-one, 3-(β-D-galactopyranosyloxy)-, (3β,5α,25R)-

Molecular Formula

C33H52O9

Molecular Mass

592.76

Cite this Page

Spirostan-12-one, 3-(β-D-galactopyranosyloxy)-, (3β,5α,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56857-65-9 (retrieved 2024-11-25) (CAS RN: 56857-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H52O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-24,26-30,34,36-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24-,26+,27+,28+,29-,30-,31+,32-,33-/m1/s1

InChIKey

InChIKey=NVCUAFIUMZCPGV-RGIGLGGVSA-N

SMILES

C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CC[C@@H](C)CO4)(C[C@]1([C@]5([C@](CC2=O)([C@]6(C)[C@@](CC5)(C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C1CC2C(CCC3CC(OC4OC(CO)C(O)C(O)C4O)CCC32C)C5CC6OC7(OCC(C)CC7)C(C)C6C15C

Other Names for this Substance

  • Spirostan-12-one, 3-(β-D-galactopyranosyloxy)-, (3β,5α,25R)-
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirostan-12-one deriv.
  • Agavoside A

Deleted or Replaced CAS Registry Numbers

75216-36-3

CAS INSIGHTSTM
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