(1β,2α,11β,12α,15β)-11,20-Epoxy-1,2,11,12-tetrahydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]picras-3-en-16-one

CAS Registry Number®

1448-23-3
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CAS Name

(1β,2α,11β,12α,15β)-11,20-Epoxy-1,2,11,12-tetrahydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]picras-3-en-16-one

Molecular Formula

C25H36O10

Molecular Mass

496.55

Cite this Page

(1β,2α,11β,12α,15β)-11,20-Epoxy-1,2,11,12-tetrahydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]picras-3-en-16-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1448-23-3 (retrieved 2024-05-09) (CAS RN: 1448-23-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    250-255 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C25H36O10/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/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1

InChIKey

InChIKey=LZKVXMYVBSNXER-YZPKDWIXSA-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)=C[C@H](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-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]-, (1β,2α,11β,12α,15β)-
  • Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,2,3,3aβ,4,6aβ,7,7aα,10,11,11a,11bα-dodecahydro-1α,2α,4β,10α,11β-pentahydroxy-3α,8,11aβ-trimethyl-5H-1,11cβ-(epoxymethano)phenanthro[10,1-bc]pyran-5-one
  • Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1β,2α,11β,12α,15β(S)]-
  • Glaucarubin
  • 5H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-16-one deriv.

View All

Deleted or Replaced CAS Registry Numbers

1392-08-1, 1392-07-0

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