Glaucarubinone

CAS Registry Number®

1259-86-5

CAS Name

Glaucarubinone

Molecular Formula

C25H34O10

Molecular Mass

494.53

Cite this Page

Glaucarubinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1259-86-5 (retrieved 2024-11-22) (CAS RN: 1259-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1

InChIKey

InChIKey=WRBGCYVAJRRQKP-STDAJNJZSA-N

SMILES

C[C@@]12[C@@]3([C@]45[C@@]([C@@H](OC([C@@](CC)(C)O)=O)C(=O)O[C@@]4(C[C@]1(C(C)=CC(=O)[C@H]2O)[H])[H])([C@@H](C)[C@@H](O)[C@]3(O)OC5)[H])[H]

Canonical SMILES

O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C5(O)OCC24C(C1OC(=O)C(O)(C)CC)C(C)C5O)C

Other Names for this Substance

  • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]-, (1β,11β,12α,15β)-
  • Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3aβ,4,7,7aα,11,11a,11bα-octahydro-1α,2α,4β,11β-tetrahydroxy-3α,8,11aβ-trimethyl-2H-1,11cβ-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aβH)-dione
  • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1β,11β,12α,15β(S)]-
  • Glaucarubinone
  • 2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-ene-2,16-dione deriv.

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