Candicidin D

CAS Registry Number®

39372-30-0
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CAS Name

Candicidin D

Molecular Formula

C59H84N2O18

Molecular Mass

1109.30

Cite this Page

Candicidin D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=39372-30-0 (retrieved 2024-05-03) (CAS RN: 39372-30-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15-,21-16+/t35-,36-,37-,38+,43-,44-,45-,47-,48-,50-,51-,53+,54-,55+,56-,57-,59-/m0/s1

InChIKey

InChIKey=OPGSFDUODIJJGF-FFHFSZIYSA-N

SMILES

O([C@H]1[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O1)[C@@H]/2C[C@H](O)[C@H](C(O)=O)[C@@H](O)CC(=O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)CCCC(=O)CC(=O)O[C@]([C@H](C[C@@H]([C@H](CC(=O)C3=CC=C(N)C=C3)O)C)C)([C@@H](C)/C=C\C=C\C=C\C=C\C=C\C=C\C=C2)[H]

Canonical SMILES

O=C(O)C1C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC(C(C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC1O)C)C(C)CC(C)C(O)CC(=O)C3=CC=C(N)C=C3

Other Names for this Substance

  • Candicidin D
  • Oxacyclooctatriacontane, candicidin D deriv.
  • Levorin A2
  • Stereoisomer of 22-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-38-[6-(4-aminophenyl)-4-hydroxy-1,3-dimethyl-6-oxohexyl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
  • FR 008II

Deleted or Replaced CAS Registry Numbers

39454-91-6

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