papulacandin C
chemical compound
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papulacandin C
Summary
papulacandin C is a group of stereoisomers[1].
Key Facts
- papulacandin C's instance of is recorded as group of stereoisomers[2].
- papulacandin C's canonical SMILES is recorded as CCC(C)CCC=CC=C(C)C(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(C=C(C=C3CO2)O)O)CO)OC4C(C(C(C(O4)COC(=O)C=CC=CC=CC(CC)O)O)O)O)O[3].
- papulacandin C's InChI is recorded as InChI=1S/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3/b8-7+,12-9+,14-10+,19-13+,21-15+,22-16+,29-18+/t28-,31?,33-,35+,36+,40-,41-,42+,43+,44-,45+,46-,47-/m0/s1[4].
- papulacandin C's InChIKey is recorded as UJLFRJFJTPPIOK-JPWNLYTBSA-N[5].
- papulacandin C's chemical formula is recorded as C₄₇H₆₄O₁₇[6].
- papulacandin C's subclass of is recorded as papulacandin B[7].
- papulacandin C's ChemSpider ID is recorded as 28540417[8].
- papulacandin C's PubChem CID is recorded as 71296172[9].
- papulacandin C's ChEBI ID is recorded as 72622[10].
- papulacandin C's isomeric SMILES is recorded as CCC@HCC/C=C/C=C(\C)/C@HOC@HCC/C=C/C=C(\C)/[C@H](C/C=C/C=C/C(=O)O[C@H]1C@@HO[C@H]4[C@@H]([C@H]([C@H](C@HCOC(=O)/C=C/C=C/C">[11].
- papulacandin C's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+900.414351'}[12].
- papulacandin C's UniChem compound ID is recorded as 32024901[13].