Actein

CAS Registry Number®

18642-44-9

CAS Name

Actein

Molecular Formula

C37H56O11

Molecular Mass

676.83

Cite this Page

Actein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18642-44-9 (retrieved 2024-11-22) (CAS RN: 18642-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    246-250 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1

InChIKey

InChIKey=NEWMWGLPJQHSSQ-PSDKAYTQSA-N

SMILES

C[C@]12[C@]3([C@]4([C@]5(C4)[C@@](CC3)(C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)CC5)[H])C[C@@H](OC(C)=O)[C@]1(C)[C@@]7([C@](C2)(O[C@@]8(C[C@H]7C)[C@]9([C@](C)(O9)[C@@H](O)O8)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CC23CC43CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC2C6(C)CC7OC8(OC(O)C9(OC89)C)CC(C)C7C16C)C

Other Names for this Substance

  • β-D-Xylopyranoside, (3β,12β,16β,23R,24R,25S,26S)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl
  • Actein
  • Spiro[5H-cyclopropa[1′,8′a]naphth[2′,1′:4,5]indeno[2,1-b]pyran-10(2H),2′-[3,6]dioxabicyclo[3.1.0]hexane], β-D-xylopyranoside deriv.
  • 9,19-Cyclolanostane, β-D-xylopyranoside deriv.
  • (3β,12β,16β,23R,24R,25S,26S)-12-(Acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl β-D-xylopyranoside

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Deleted or Replaced CAS Registry Numbers

31921-39-8, 1140532-54-2