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compound 1.roesy

URL: https://nmrxiv.org/D2007

Dataset description:

This dataset contains NMR spectra obtained for the sample -compound 1 date: 2021-09-09T12:58:16.000Z isFt: false name: compound 1/1 phc0: -88.46197 phc1: -14.18055 type: NMR FID DECIM:...

Source: compound 1.roesy

Chemical Info

InChI	InChI=1S/C31H52O4/c1-18(2)19(3)16-22(32)20(4)21-10-12-30(9)26(35)31(15-14-28(21,30)7)25(34)17-23-27(5,6)24(33)11-13-29(23,31)8/h18,20-25,32-34H,3,10-17H2,1-2,4-9H3/t20-,21?,22-,23?,24-,25+,28+,29-,30-,31?/m0/s1
SMILES	C=C(C[C@H](O)[C@@H](C)C1CC[C@@]2(C)C(=O)C3(CC[C@]12C)[C@H](O)CC1C(C)(C)[C@@H](O)CC[C@@]13C)C(C)C
InChI Key	KLMGBOUPTMNAOY-AOGMVXSVSA-N

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Additional Information

Field	Value
Data last updated	May 15, 2024
Metadata last updated	May 15, 2024
Created	May 15, 2024
Format	HTML
License	No License Provided
Id	32f01d82-67c6-4e93-aef3-19cc8fa8e68f
Package id	nmrxiv-d2007
Resource type	HTML
State	active