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D-lactosyl-beta-1,1 N-octanoyl-D-erythro-sphingosine

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N102106_F638

Dataset description:

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102106_F638 contains the MS2 mass spectrum of D-lactosyl-beta-1,1 N-octanoyl-D-erythro-sphingosine with the InChIkey...

Source: D-lactosyl-beta-1,1 N-octanoyl-D-erythro-sphingosine

Chemical Info

molecular Image

InChI	InChI=1S/C38H71NO13/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-27(42)26(39-30(43)22-20-17-8-6-4-2)25-49-37-35(48)33(46)36(29(24-41)51-37)52-38-34(47)32(45)31(44)28(23-40)50-38/h19,21,26-29,31-38,40-42,44-48H,3-18,20,22-25H2,1-2H3,(H,39,43)/b21-19+/t26-,27+,28+,29+,31-,32?,33?,34?,35?,36+,37+,38-/m0/s1
SMILES	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@@H]([C@H](O1)CO)O[C@H]2C(C([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCC)O
InChI Key	JUCWRRXMPGRQOG-BHOUECFLSA-N
Molecular Formula	C38H71NO13
Exact Mass	749.492 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	No License Provided
Id	064d0593-5b86-4de8-86d1-a9f5a3f8faac
Package id	msbnk-antwerp_univ-metox_n102106_f638
Resource type	HTML
State	active