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-[(2S)-2-methyl-1-oxobutyl]-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl]oxy]-, intramol. 1,2′′-ester, (11S)-

CAS Registry Number®

151310-51-9

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-[(2S)-2-methyl-1-oxobutyl]-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl]oxy]-, intramol. 1,2′′-ester, (11S)-

Molecular Formula

C63H110O25

Molecular Mass

1267.53

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-[(2S)-2-methyl-1-oxobutyl]-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl]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=151310-51-9 (retrieved 2024-11-23) (CAS RN: 151310-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C63H110O25/c1-9-12-14-15-16-17-20-23-27-31-41(65)82-51-36(6)77-60(49(73)47(51)71)86-53-38(8)79-63(57(84-58(75)34(4)11-3)56(53)88-59-48(72)45(69)43(67)35(5)76-59)85-52-37(7)78-61-55(50(52)74)83-42(66)32-28-24-21-18-19-22-26-30-39(29-25-13-10-2)80-62-54(87-61)46(70)44(68)40(33-64)81-62/h34-40,43-57,59-64,67-74H,9-33H2,1-8H3

InChIKey

InChIKey=ZEVJZHRJNZKVGI-UHFFFAOYSA-N

SMILES

O(C1C(OC(C(CC)C)=O)C(OC2C(O)C3C(OC2C)OC4C(OC(CO)C(O)C4O)OC(CCCCC)CCCCCCCCCC(=O)O3)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)C(C)CC)C2O)OC6C(OC(CCCCC)CCCCCCCCC1)OC(CO)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-[(2S)-2-methyl-1-oxobutyl]-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl]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-(S)-6-deoxy-2-O-(2-methyl-1-oxobutyl)-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl]oxy]-, intramol. 1,2′′-ester, (S)-
  • 2H,6H,19H-Dipyrano[2,3-b:2′,3′-e][1,4,7]trioxacyclooctadecin, hexadecanoic acid deriv.
  • Simonin II

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