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14729-29-4
RORIDIN A
Name
RORIDIN A
Formula
C29 H40 O9
MolWeight
532.626
1Identification
【Name】
RORIDIN A
【CAS】
【MDL】
MFCD00055569
【English Synonyms】
【Formula】
C29 H40 O9
【MolWeight】
532.626
【Inchi】
InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19?,20?,21-,22-,23?,25+,27?,28-,29-/m1/s1
【InChIKey】
InChIKey=NSFWWJIQIKBZMJ-UHCLLKSJSA-N
【SMILES】
C[C@@H]1CCOC(/C=C/C=C\C(=O)O[C@@H]2CC3[C@@]4(C2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)C(C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
RORIDIN A.cml
Quick Release
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