化学式

CAS号

IUPAC Name

[6-[2-[[(3S,8R,10R,13S,14S,16S,17S)-3,17-二羟基-10,13-二甲基-17-[(2S)-6-甲基-3-oxoheptan-2-基]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]菲-16-基]氧基]-5-羟基-3-methyloxan-4-基]氧基-2-氧代-4,6,7,7a-四氢-3aH-[1,3]二氧代[4,5-c]吡喃-7-基]4-甲基苯酸盐 [6-[2-[[(3S,8R,10R,13S,14S,16S,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-3-methyloxan-4-yl]oxy-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] 4-methylbenzoate

InChI

InChI=1S/C47H66O13/c1-24(2)8-15-34(49)27(5)47(53)37(21-33-31-14-13-29-20-30(48)16-18-45(29,6)32(31)17-19-46(33,47)7)57-42-26(4)38(35(50)22-54-42)59-43-40(39-36(23-55-43)56-44(52)60-39)58-41(51)28-11-9-25(3)10-12-28/h9-13,24,26-27,30-33,35-40,42-43,48,50,53H,8,14-23H2,1-7H3/t26?,27-,30+,31-,32?,33+,35?,36?,37+,38?,39?,40?,42?,43?,45+,46+,47-/m1/s1

InChI Key

YHOJVHTVPPKAJI-BRODGFGESA-N

Canonical SMILES

CC1C(C(COC1OC2CC3C4CC=C5CC(CCC5(C4CCC3(C2(C(C)C(=O)CCC(C)C)O)C)C)O)O)OC6C(C7C(CO6)OC(=O)O7)OC(=O)C8=CC=C(C=C8)C

别名

• SCHEMBL15705352