Hexadecanoic acid, 11-[[O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[6-deoxy-4-O-(1-oxododecyl)-α-L-mannopyranosyl-(1→4)]-O-6-deoxy-2-O-(1-oxooctyl)-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl]oxy]-, intramol. 1,2′′-ester, (11S)-

CAS Registry Number®

151310-54-2

CAS Name

Hexadecanoic acid, 11-[[O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[6-deoxy-4-O-(1-oxododecyl)-α-L-mannopyranosyl-(1→4)]-O-6-deoxy-2-O-(1-oxooctyl)-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl]oxy]-, intramol. 1,2′′-ester, (11S)-

Molecular Formula

C66H116O24

Molecular Mass

1293.61

Cite this Page

Hexadecanoic acid, 11-[[O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[6-deoxy-4-O-(1-oxododecyl)-α-L-mannopyranosyl-(1→4)]-O-6-deoxy-2-O-(1-oxooctyl)-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl]oxy]-, intramol. 1,2′′-ester, (11S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=151310-54-2 (retrieved 2024-11-25) (CAS RN: 151310-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C66H116O24/c1-9-12-15-17-18-19-22-26-31-35-44(67)84-55-40(6)80-63(53(76)51(55)74)88-57-42(8)82-66(61(86-46(69)37-30-24-16-13-10-2)60(57)90-62-52(75)49(72)47(70)38(4)78-62)87-56-41(7)81-65-59(54(56)77)85-45(68)36-32-27-23-20-21-25-29-34-43(33-28-14-11-3)83-64-58(89-65)50(73)48(71)39(5)79-64/h38-43,47-66,70-77H,9-37H2,1-8H3

InChIKey

InChIKey=NQDAYVPCMIYPCA-UHFFFAOYSA-N

SMILES

O(C1C(OC(CCCCCCC)=O)C(OC2C(O)C3C(OC2C)OC4C(OC(CCCCC)CCCCCCCCCC(=O)O3)OC(C)C(O)C4O)OC(C)C1OC5C(O)C(O)C(OC(CCCCCCCCCCC)=O)C(C)O5)C6C(O)C(O)C(O)C(C)O6

Canonical SMILES

O=C1OC2C(OC(C)C(OC3OC(C)C(OC4OC(C)C(OC(=O)CCCCCCCCCCC)C(O)C4O)C(OC5OC(C)C(O)C(O)C5O)C3OC(=O)CCCCCCC)C2O)OC6C(OC(CCCCC)CCCCCCCCC1)OC(C)C(O)C6O

Other Names for this Substance

  • Hexadecanoic acid, 11-[[O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[6-deoxy-4-O-(1-oxododecyl)-α-L-mannopyranosyl-(1→4)]-O-6-deoxy-2-O-(1-oxooctyl)-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl]oxy]-, intramol. 1,2′′-ester, (11S)-
  • Hexadecanoic acid, 11-[[O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[6-deoxy-4-O-(1-oxododecyl)-α-L-mannopyranosyl-(1→4)]-O-6-deoxy-2-O-(1-oxooctyl)-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl]oxy]-, intramol. 1,2′′-ester, (S)-
  • 2H,6H,19H-Dipyrano[2,3-b:2′,3′-e][1,4,7]trioxacyclooctadecin, hexadecanoic acid deriv.
  • Simonin V

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