Agavoside B

CAS Registry Number®

56857-66-0
No image available.

CAS Name

Agavoside B

Molecular Formula

C39H62O14

Molecular Mass

754.90

Cite this Page

Agavoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56857-66-0 (retrieved 2024-05-18) (CAS RN: 56857-66-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    267-268 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h17-26,28-36,40-41,43-47H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-/m1/s1

InChIKey

InChIKey=YEKZYRCPUZIPAI-FKPXPTAZSA-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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC6)[H])[H])[H])[H])[H])[H]

Canonical SMILES

O=C1CC2C(CCC3CC(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)CCC32C)C6CC7OC8(OCC(C)CC8)C(C)C7C16C

Other Names for this Substance

  • Spirostan-12-one, 3-[(4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-, (3β,5α,25R)-
  • (3β,5α,25R)-3-[(4-O-β-D-Glucopyranosyl-β-D-galactopyranosyl)oxy]spirostan-12-one
  • Agavoside B
  • TTS 8
  • Hecogenin 3-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside

Deleted or Replaced CAS Registry Numbers

75216-37-4

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