115960-14-0
HIDROSMIN
Name
HIDROSMIN
Formula
C30 H36 O16
MolWeight
652.598
1Identification
【Name】
HIDROSMIN
【CAS】
【MDL】
MFCD01744563
【English Synonyms】
【Formula】
C30 H36 O16
【MolWeight】
652.598
【Inchi】
InChI=1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-19(41-6-5-31)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)15(32)7-13/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3/t12-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1
【InChIKey】
InChIKey=XYFLWVOTXWXNAM-WTNNCJBMSA-N
【SMILES】
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(c(=O)cc(o4)c5ccc(c(c5)O)OC)c(c3)OCCO)O)O)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:16
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HIDROSMIN.cml
Quick Release
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