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compound 3.roesy

URL: https://nmrxiv.org/D1971

Dataset description:

This dataset contains NMR spectra obtained for the sample -compound 3 date: 2021-02-25T10:29:15.000Z isFt: false name: compound 3/1 phc0: -54.19912 phc1: -56.62946 type: NMR FID DECIM:...

Source: compound 3.roesy

Chemical Info

InChI	InChI=1S/C30H50O5/c1-17(2)20(31)15-21(32)18(3)19-9-11-29(8)25(35)30(14-13-27(19,29)6)24(34)16-22-26(4,5)23(33)10-12-28(22,30)7/h17-19,21-24,32-34H,9-16H2,1-8H3/t18-,19?,21-,22?,23-,24-,27+,28-,29-,30-/m0/s1
SMILES	CC(C)C(=O)C[C@H](O)[C@@H](C)C1CC[C@@]2(C)C(=O)[C@]3(CC[C@]12C)[C@@H](O)CC1C(C)(C)[C@@H](O)CC[C@@]13C
InChI Key	ZBQKIVAOPCCKBW-CUOJTQAWSA-N

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Additional Information

Field	Value
Data last updated	February 3, 2025
Metadata last updated	February 3, 2025
Created	February 3, 2025
Format	HTML
License	No License Provided
Id	1d078dda-e5ec-4c69-88c9-5d76d31b93df
Package id	nmrxiv-d1971
Resource type	HTML
State	active