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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_N102126_9C9C

Dataset description:

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102126_9C9C 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	Attribution 4.0 International (CC BY 4.0)
Id	ed812672-c536-4072-84d9-670a7a53cb34
Package id	msbnk-antwerp_univ-metox_n102126_9c9c
Resource type	HTML
State	active