54522-52-0
METHYLPROTODIOSCIN
Name
METHYLPROTODIOSCIN
Formula
C52 H86 O22
MolWeight
1063.23
1Identification
【Name】
METHYLPROTODIOSCIN
【CAS】
【MDL】
MFCD02751992
【English Synonyms】
【Formula】
C52 H86 O22
【MolWeight】
1063.23
【Inchi】
InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3
【InChIKey】
InChIKey=HSSJYSJXBOCKQM-UHFFFAOYSA-N
【SMILES】
CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:12
H bond acceptor:22
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYLPROTODIOSCIN.cml
Quick Release
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