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compound 4.hmbc

URL: https://nmrxiv.org/D1998

Dataset description:

This dataset contains NMR spectra obtained for the sample -compound 4 date: 2021-02-25T10:36:59.000Z isFt: false name: compound 4/1 phc0: -51.90553 phc1: -62.88863 type: NMR FID DECIM:...

Source: compound 4.hmbc

Chemical Info

InChI	InChI=1S/C31H52O5/c1-18(2)30(17-36-30)16-21(32)19(3)20-9-11-29(8)25(35)31(14-13-27(20,29)6)24(34)15-22-26(4,5)23(33)10-12-28(22,31)7/h18-24,32-34H,9-17H2,1-8H3/t19-,20?,21-,22?,23-,24-,27+,28-,29-,30?,31-/m0/s1
SMILES	CC(C)C1(C[C@H](O)[C@@H](C)C2CC[C@@]3(C)C(=O)[C@]4(CC[C@]23C)[C@@H](O)CC2C(C)(C)[C@@H](O)CC[C@@]24C)CO1
InChI Key	QZIBHZBMQIZEHR-UMLUTLPMSA-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	63011cdf-f838-41f7-978e-9ff033ad7e07
Package id	nmrxiv-d1998
Resource type	HTML
State	active