Rubratoxin B

CAS Registry Number®

21794-01-4

CAS Name

Rubratoxin B

Molecular Formula

C26H30O11

Molecular Mass

518.51

Cite this Page

Rubratoxin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21794-01-4 (retrieved 2024-11-24) (CAS RN: 21794-01-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168-170 °C (decomp)

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1

InChIKey

InChIKey=ZJTBTDVZNGBSNG-RETZLTROSA-N

SMILES

[C@H](CCCCCC)(O)[C@@]1(C2=C(C[C@]([C@H](O)[C@]3(OC(=O)C=CC3)[H])(CC4=C([C@@H]1O)C(=O)OC4=O)[H])C(=O)OC2=O)[H]

Canonical SMILES

O=C1OC(CC=C1)C(O)C2CC=3C(=O)OC(=O)C3C(O)C(C=4C(=O)OC(=O)C4C2)C(O)CCCCCC

Other Names for this Substance

  • 1H-Cyclonona[1,2-c:5,6-c′]difuran-1,3,6,8(4H)-tetrone, 10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-, (4S,5R,10R)-rel-(+)-
  • 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3-hydroxy-4-(1-hydroxyheptyl)-
  • 1H-Cyclonona[1,2-c:5,6-c′]difuran-1,3,6,8(4H)-tetrone, 10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, [4R*,5S*(R*),10S*[S*(S*)]]-(+)-
  • rel-(+)-(4S,5R,10R)-10-[(R)-[(2R)-3,6-Dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-[(1S)-1-hydroxyheptyl]-1H-cyclonona[1,2-c:5,6-c′]difuran-1,3,6,8(4H)-tetrone
  • Rubratoxin B

View All

Deleted or Replaced CAS Registry Numbers

11005-35-9, 25198-89-4, 27863-80-5

CAS INSIGHTSTM
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