Cas no 192213-04-0 (Pregn-7-en-20-one, 4,4,14-trimethyl-3-[(O-3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-6-O-sulfo-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranosyl)oxy]-, (3β,5α,9β)-)

Pregn-7-en-20-one, 4,4,14-trimethyl-3-[(O-3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-6-O-sulfo-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranosyl)oxy]-, (3β,5α,9β)- structure

192213-04-0 structure

Product Name:Pregn-7-en-20-one, 4,4,14-trimethyl-3-[(O-3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-6-O-sulfo-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranosyl)oxy]-, (3β,5α,9β)-

CAS No:192213-04-0

MF:C₅₃H₈₆O₃₃S₃

MW:1347.42515707016

CID:2726756

Update Time:2024-03-01

Pregn-7-en-20-one, 4,4,14-trimethyl-3-[(O-3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-6-O-sulfo-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranosyl)oxy]-, (3β,5α,9β)- Chemical and Physical Properties

Names and Identifiers

- Pregn-7-en-20-one, 4,4,14-trimethyl-3-[(O-3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-6-O-sulfo-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranosyl)oxy]-, (3β,5α,9β)-
- (-)-Koreoside A
- Inchi： 1S/C53H86O33S3/c1-21(54)23-11-15-53(7)25-9-10-30-50(3,4)31(13-14-51(30,5)24(25)12-16-52(23,53)6)81-48-43(35(59)29(18-75-48)86-89(70,71)72)85-49-44(84-45-36(60)32(56)26(55)17-74-45)37(61)40(22(2)78-49)82-47-39(63)42(34(58)28(80-47)20-77-88(67,68)69)83-46-38(62)41(73-8)33(57)27(79-46)19-76-87(64,65)66/h9,22-24,26-49,55-63H,10-20H2,1-8H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)
- InChI Key： KVXZMJLMKFIOSS-UHFFFAOYSA-N
- SMILES： COC1C(O)C(OC2C(O)C(OC3C(O)C(OC4C(O)C(O)C(O)CO4)C(OC4C(OC5C(C)(C)C6C(C7C(=CC6)C6(C(C(C(=O)C)CC6)(C)CC7)C)(C)CC5)OCC(OS(=O)(=O)O)C4O)OC3C)OC(COS(=O)(=O)O)C2O)OC(COS(=O)(=O)O)C1O