Cas no 1808158-94-2 (3,8,12,14,17-Pentahydroxypregn-5-en-20-one; (3β,12β,14β,17βOH)-form, 12-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-[β-D-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside])

3,8,12,14,17-Pentahydroxypregn-5-en-20-one; (3β,12β,14β,17βOH)-form, 12-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-[β-D-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside] structure
1808158-94-2 structure
Product Name:3,8,12,14,17-Pentahydroxypregn-5-en-20-one; (3β,12β,14β,17βOH)-form, 12-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-[β-D-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside]
CAS No:1808158-94-2
MF:C49H78O16
MW:923.134037494659
CID:6718295
Update Time:2024-03-03

3,8,12,14,17-Pentahydroxypregn-5-en-20-one; (3β,12β,14β,17βOH)-form, 12-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-[β-D-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside] Chemical and Physical Properties

Names and Identifiers

    • 3,8,12,14,17-Pentahydroxypregn-5-en-20-one; (3β,12β,14β,17βOH)-form, 12-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-[β-D-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranoside]
    • Inchi: 1S/C49H78O16/c1-25(2)26(3)19-38(51)63-37-24-36-45(8)15-14-32(20-31(45)13-16-48(36,54)49(55)18-17-47(53,30(7)50)46(37,49)9)62-39-22-34(57-11)43(28(5)60-39)65-41-23-35(58-12)44(29(6)61-41)64-40-21-33(56-10)42(52)27(4)59-40/h13,19,25,27-29,32-37,39-44,52-55H,14-18,20-24H2,1-12H3
    • InChI Key: YLHXSKZGPASTOD-UHFFFAOYSA-N
    • SMILES: COC1C(O)C(C)OC(OC2C(OC)CC(OC3C(OC)CC(OC4CC5C(C6C(CC=5)(O)C5(C(C(C(=O)C)(CC5)O)(C)C(OC(C=C(C(C)C)C)=O)C6)O)(C)CC4)OC3C)OC2C)C1
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