Lankamycin

CAS Registry Number®

30042-37-6

CAS Name

Lankamycin

Molecular Formula

C42H72O16

Molecular Mass

833.01

Cite this Page

Lankamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30042-37-6 (retrieved 2024-11-22) (CAS RN: 30042-37-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147-150 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H72O16/c1-19-17-41(12,49)37(47)24(6)35(54-28(10)44)23(5)34(21(3)26(8)43)57-39(48)25(7)36(22(4)33(19)58-40-32(46)30(50-14)16-20(2)52-40)56-31-18-42(13,51-15)38(27(9)53-31)55-29(11)45/h19-27,30-36,38,40,43,46,49H,16-18H2,1-15H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,30-,31-,32+,33-,34+,35-,36-,38+,40-,41-,42+/m0/s1

InChIKey

InChIKey=JQMACDQCTNFQMM-QAOHEUSVSA-N

SMILES

O([C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](OC)(C)[C@H](OC(C)=O)[C@H](C)O2)[C@@H](C)C(=O)O[C@]([C@H]([C@H](C)O)C)([C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@@](C)(O)C[C@@H]1C)[H])[C@H]3[C@H](O)[C@@H](OC)C[C@@H](C)O3

Canonical SMILES

O=C(OC1C(C(=O)C(O)(C)CC(C)C(OC2OC(C)CC(OC)C2O)C(C)C(OC3OC(C)C(OC(=O)C)C(OC)(C)C3)C(C(=O)OC(C(C)C(O)C)C1C)C)C)C

Other Names for this Substance

  • Oxacyclotetradecane-2,10-dione, 4-[(4-O-acetyl-2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-xylo-hexopyranosyl)oxy]-12-(acetyloxy)-6-[(4,6-dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-9-hydroxy-14-[(1S,2S)-2-hydroxy-1-methylpropyl]-3,5,7,9,11,13-hexamethyl-, (3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-
  • Lankamycin
  • Oxacyclotetradecane-2,10-dione, 4-[(4-O-acetyl-2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-xylo-hexopyranosyl)oxy]-12-(acetyloxy)-6-[(4,6-dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-9-hydroxy-14-(2-hydroxy-1-methylpropyl)-3,5,7,9,11,13-hexamethyl-, [3R-[3R*,4S*,5R*,6S*,7S*,9S*,11R*,12S*,13S*,14R*(1S*,2S*)]]-
  • Oxacyclotetradecane, lankamycin deriv.
  • (3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-4-[(4-O-Acetyl-2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-xylo-hexopyranosyl)oxy]-12-(acetyloxy)-6-[(4,6-dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-9-hydroxy-14-[(1S,2S)-2-hydroxy-1-methylpropyl]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

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Deleted or Replaced CAS Registry Numbers

11030-33-4, 11072-86-9, 20283-49-2, 28218-49-7

CAS INSIGHTSTM
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