Condurango glycoside A
chemical compound
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Condurango glycoside A
Summary
Condurango glycoside An is a group of stereoisomers[1].
Key Facts
- Condurango glycoside A's instance of is recorded as group of stereoisomers[2].
- Condurango glycoside A's CAS Registry Number is recorded as 11051-90-4[3].
- Condurango glycoside A's canonical SMILES is recorded as CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6C5C(C(C7(C6(CCC7C(=O)C)O)C)OC(=O)C=CC8=CC=CC=C8)OC(=O)C)C)C)C)O)OC)O[4].
- Condurango glycoside A's InChI is recorded as InChI=1S/C53H78O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(66-31(5)55)49(52(35,53)7)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-16,19,28-30,33-38,40-50,57-59H,17-18,20-26H2,1-10H3/b19-16+/t28-,29-,30-,33?,34+,35-,36?,37+,38+,40+,41+,42?,43-,44-,45-,46-,47+,48-,49-,50+,51+,52+,53+/m1/s1[5].
- Condurango glycoside A's InChIKey is recorded as ZKWQLHAAXWFVPF-GAAJSAFMSA-N[6].
- Condurango glycoside A's chemical formula is recorded as C₅₃H₇₈O₁₇[7].
- Condurango glycoside A's subclass of is recorded as pregnane steroid[8].
- Condurango glycoside A's ChemSpider ID is recorded as 4952837[9].
- Condurango glycoside A's PubChem CID is recorded as 6450222[10].
- Condurango glycoside A's KEGG ID is recorded as C17553[11].
- Condurango glycoside A's ChEBI ID is recorded as 81180[12].
- Condurango glycoside A's isomeric SMILES is recorded as C[C@@H]1C@HOC@@HO[C@@H]2[C@H](OC@HO[C@@H]3[C@H](OC@HO[C@H]4CC[C@]5(C(C4)CCC6C5[C@@H]([C@H]([C@]7([C@@]">[13].
- Condurango glycoside A's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+986.524'}[14].
- Condurango glycoside A's SureChEMBL ID is recorded as 31570690[15].
- Condurango glycoside A's UniChem compound ID is recorded as 1070966[16].