CAS Registry Number®
18642-44-9
CAS Name
Actein
Molecular Formula
C37H56O11
Molecular Mass
676.83
Compound Properties
-
Melting Point (1)
246-250 °C
Source(s)
- (1) Panizzi, Luigi; Atti Accad. Nazl. Lincei., Rend., Classe Sci. Fis., Mat. Nat., (1962), 32, 601-5, CAplus
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
- Shengmating
Deleted or Replaced CAS Registry Numbers
31921-39-8, 1140532-54-2
