Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3 |
---|---|
SMILES | CC1(C)c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 |
InChI Key | CXNIUSPIQKWYAI-UHFFFAOYSA-N |
Molecular Formula | C39H32OP2 |
Exact Mass | 578.618 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/CXNIUSPIQKWYAI-UHFFFAOYSA-N/CHMO0000596.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CXNIUSPIQKWYAI-UHFFFAOYSA-N/CHMO0000596.1 |
Version | |
Author | Fabian Schönle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-01-29T10:56:18.760916 |
MetadataModified | 2025-01-29T16:48:01.281480 |
MetadataPublished | 2024-12-04 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CB0141028 | ChemicalBook |
337365 | BindingDB |
MCULE-6580279946 | Mcule |
YIRWAX | CCDC |
NMU72MOG9B | FDA SRS |
J1.199.378H | Nikkaji |
DTXSID20348350 | EPA CompTox Dashboard |
ZINC000059031748 | ZINC |
SCHEMBL6953 | SureChEMBL |
161265-03-8 | ACToR |
517368 | eMolecules |
636044 | PubChem |
15208421 | PubChem: Thomson Pharma |
The data in this table is sourced from UniChem at EBI. |