化学式

CAS号

IUPAC Name

[6-[3-乙酰氧基-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-hydroxyoxan-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-甲氧基苯羧酸 [6-[3-acetyloxy-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-hydroxyoxan-4-yl]oxy-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] 4-methoxybenzoate

InChI

InChI=1S/C48H66O16/c1-24(2)8-15-34(51)25(3)48(55)37(21-33-31-14-11-28-20-29(50)16-18-46(28,5)32(31)17-19-47(33,48)6)61-43-40(59-26(4)49)38(35(52)22-57-43)63-44-41(39-36(23-58-44)60-45(54)64-39)62-42(53)27-9-12-30(56-7)13-10-27/h9-13,24-25,29,31-33,35-41,43-44,50,52,55H,8,14-23H2,1-7H3/t25-,29+,31-,32?,33+,35?,36?,37+,38?,39?,40?,41?,43?,44?,46+,47+,48-/m1/s1

InChI Key

ZANRBCHZEJGTAW-ULRDFFSVSA-N

Canonical SMILES

CC(C)CCC(=O)C(C)C1(C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C7C(CO6)OC(=O)O7)OC(=O)C8=CC=C(C=C8)OC)OC(=O)C)O

别名

• SCHEMBL15706967