Tanghinin

CAS Registry Number®

25390-16-3

CAS Name

Tanghinin

Molecular Formula

C32H46O10

Molecular Mass

590.70

Cite this Page

Tanghinin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25390-16-3 (retrieved 2024-11-22) (CAS RN: 25390-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H46O10/c1-16-25(35)26(37-5)27(40-17(2)33)28(39-16)41-20-6-9-29(3)19(13-20)14-23-32(42-23)22(29)8-10-30(4)21(7-11-31(30,32)36)18-12-24(34)38-15-18/h12,16,19-23,25-28,35-36H,6-11,13-15H2,1-5H3/t16-,19-,20-,21+,22+,23-,25-,26+,27-,28-,29-,30+,31+,32+/m0/s1

InChIKey

InChIKey=BTRWTSHCXGFFFL-NNYOWCKQSA-N

SMILES

O[C@@]12[C@@]34[C@@](O3)(C[C@]5([C@@](C)([C@]4(CC[C@]1(C)[C@H](CC2)C=6COC(=O)C6)[H])CC[C@H](O[C@H]7[C@@H](OC(C)=O)[C@H](OC)[C@@H](O)[C@H](C)O7)C5)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C45OC5CC6CC(OC7OC(C)C(O)C(OC)C7OC(=O)C)CCC6(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2-O-acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7,8-epoxy-14-hydroxy-, (3β,5β,7β)-
  • Tanghinin
  • (3β,5β,7β)-3-[(2-O-Acetyl-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7,8-epoxy-14-hydroxycard-20(22)-enolide

Deleted or Replaced CAS Registry Numbers

1416-13-3, 30756-33-3, 32072-91-6, 33318-39-7