Dataset
Stigmasterol 900MHz 400MHz CDCl3 NMR data.hmbc
Chemical Info
InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
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SMILES | CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |
InChI Key | HCXVJBMSMIARIN-PHZDYDNGSA-N |
Molecular Formula | C29H48O |
Exact Mass | 412.700 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p33.s204.d1026 |
License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
Source | https://nmrxiv.org/D1026 |
Version | |
Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:57:23.922703 |
MetadataModified | 2024-09-23T09:36:36.875844 |
MetadataPublished | 2023-12-21 14:26:13 |
Field | Value |
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Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
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