508-93-0
EVOMONOSIDE
Name
EVOMONOSIDE
Formula
C29 H44 O8
MolWeight
520.659
1Identification
【Name】
EVOMONOSIDE
【CAS】
【MDL】
MFCD00189461
【English Synonyms】
【Formula】
C29 H44 O8
【MolWeight】
520.659
【Inchi】
InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17+,18-,19+,20-,21+,23-,24+,25+,26-,27-,28+,29-/m0/s1
【InChIKey】
InChIKey=WQMLFJWIKARBFW-BKKMTDGVSA-N
【SMILES】
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
EVOMONOSIDE.cml
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