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compound 2.roesy

URL: https://nmrxiv.org/D1989

Dataset description:

This dataset contains NMR spectra obtained for the sample -compound 2 date: 2020-12-03T10:29:03.000Z isFt: false name: compound 2/1 phc0: -27.14716 phc1: -15.64848 type: NMR FID DECIM:...

Source: compound 2.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)[C@]3(CC[C@]12C)[C@H](O)CC1C(C)(C)[C@@H](O)CC[C@@]13C)C(C)C
InChI Key	KLMGBOUPTMNAOY-UUOUBEBQSA-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	e279b983-a2b9-45c8-9315-96a91ea4f8f8
Package id	nmrxiv-d1989
Resource type	HTML
State	active