Sabarubicin

CAS Registry Number®

211100-13-9
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CAS Name

Sabarubicin

Molecular Formula

C32H37NO13

Molecular Mass

643.64

Cite this Page

Sabarubicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=211100-13-9 (retrieved 2024-04-29) (CAS RN: 211100-13-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1

InChIKey

InChIKey=VQHRZZISQVWPLK-UIRGBLDSSA-N

SMILES

O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=CC=CC4)C[C@](C(CO)=O)(O)C1)[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](N)[C@H](O)[C@H](C)O6)[C@H](C)O5

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)CO)CC4OC5OC(C)C(OC6OC(C)C(O)C(N)C6)C(O)C5

Other Names for this Substance

  • 5,12-Naphthacenedione, 7-[[4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,6-dideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-, (7S,9S)-
  • 5,12-Naphthacenedione, 7-[[4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,6-dideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-, (7S,9S)-
  • (7S,9S)-7-[[4-O-(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,6-dideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-5,12-naphthacenedione
  • Sabarubicin

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