1H--13C heteronuclear single quantum coherence...
URL: https://www.chemotion-repository.net/inchikey/DEJHZAFVUSHPOQ-UHFFFAOYSA-N/CHMO0001146
Dataset description:
dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n
Source: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
| InChI | InChI=1S/C72H70N2O12S2/c1-75-57-35-51(36-58(76-2)69(57)83-9)73(52-37-59(77-3)70(84-10)60(38-52)78-4)49-25-21-47(22-26-49)65-29-31-67(87-65)55-33-43-13-17-45(55)19-15-44-14-18-46(20-16-43)56(34-44)68-32-30-66(88-68)48-23-27-50(28-24-48)74(53-39-61(79-5)71(85-11)62(40-53)80-6)54-41-63(81-7)72(86-12)64(42-54)82-8/h13-14,17-18,21-42H,15-16,19-20H2,1-12H3 |
|---|---|
| SMILES | COc1cc(cc(c1OC)OC)N(c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1cc(OC)c(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC |
| InChI Key | DEJHZAFVUSHPOQ-UHFFFAOYSA-N |
| Molecular Formula | C72H70N2O12S2 |
| Exact Mass | 1219.462 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | a842e811-822a-4f65-8bb5-f906437cacd8 |
| Package id | 10-14272-dejhzafvushpoq-uhfffaoysa-n-chmo0001146 |
| Resource type | HTML |
| State | active |