Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

InChI	InChI=1S/C72H60N2O12/c1-35(2)47-11-9-12-48(36(3)4)67(47)73-69(79)51-31-55(83-43-23-15-39(75)16-24-43)61-63-57(85-45-27-19-41(77)20-28-45)33-53-60-54(72(82)74(71(53)81)68-49(37(5)6)13-10-14-50(68)38(7)8)34-58(86-46-29-21-42(78)22-30-46)64(66(60)63)62-56(84-44-25-17-40(76)18-26-44)32-52(70(73)80)59(51)65(61)62/h9-38,51,53,75-78H,1-8H3
SMILES	Oc1ccc(cc1)OC1=CC2C(=O)N(c3c(cccc3C(C)C)C(C)C)C(=O)c3c2c2c1c1C(=CC4c5c1c(c2c(c3)Oc1ccc(cc1)O)c(Oc1ccc(cc1)O)cc5C(=O)N(C4=O)c1c(cccc1C(C)C)C(C)C)Oc1ccc(cc1)O
InChI Key	DGGMKOFHAXDTDG-UHFFFAOYSA-N
Exact Mass	1145.253 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/DGGMKOFHAXDTDG-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-11-16 starting time : 19:45:34 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-26071 id : 355397 Solvent : None temperature : 298.002103105208 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.