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Substance Name: NSC 97431
RN: 39024-75-4
UNII: JE1NY6BUOI
InChIKey: WJPZXFWMBSJTPE-PISRTDAGSA-N

Molecular Formula

  • C140-H262-O19

Molecular Weight

  • 2249.59
 
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Names and Synonyms

Results Name

  • NSC 97431

Name of Substance

  • Sucrose octapalmitate

Synonyms

  • ((2S,3S,4R,5R)-4-Hexadecanoyloxy-2,5-bis(hexadecanoyloxymethyl)-2-((2R,3R,4S,5R,6R)-3,4,5-tri(hexadecanoyloxy)-6-(hexadecanoyloxymethyl)oxan-2-yl)oxyoxolan-3-yl) hexadecanoate
  • EINECS 254-251-8
  • NSC 97431
  • UNII-JE1NY6BUOI

Systematic Name

  • 1,3,4,6-Tetrakis-O-(1-oxohexadecyl)-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetrapalmitate

Registry Numbers

CAS Registry Number

  • 39024-75-4

FDA UNII

  • JE1NY6BUOI

System Generated Number

  • 0039024754

Structure Descriptors

InChI

1S/C140H262O19/c1-9-17-25-33-41-49-57-65-73-81-89-97-105-113-126(141)149-121-124-134(153-129(144)116-108-100-92-84-76-68-60-52-44-36-28-20-12-4)136(155-131(146)118-110-102-94-86-78-70-62-54-46-38-30-22-14-6)137(156-132(147)119-111-103-95-87-79-71-63-55-47-39-31-23-15-7)139(152-124)159-140(123-151-128(143)115-107-99-91-83-75-67-59-51-43-35-27-19-11-3)138(157-133(148)120-112-104-96-88-80-72-64-56-48-40-32-24-16-8)135(154-130(145)117-109-101-93-85-77-69-61-53-45-37-29-21-13-5)125(158-140)122-150-127(142)114-106-98-90-82-74-66-58-50-42-34-26-18-10-2/h124-125,134-139H,9-123H2,1-8H3/t124-,125-,134-,135-,136+,137-,138+,139-,140+/m1/s1

InChIKey

WJPZXFWMBSJTPE-PISRTDAGSA-N

Smiles

O(C(=O)CCCCCCCCCCCCCCC)C[C@H]1O[C@@](O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)([C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC