18642-44-9
ACTEIN
Name
ACTEIN
Formula
C37 H56 O11
MolWeight
676.838
1Identification
【Name】
ACTEIN
【CAS】
【MDL】
MFCD00210469
【English Synonyms】
【Formula】
C37 H56 O11
【MolWeight】
676.838
【Inchi】
InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20?,21+,22+,23+,24-,25+,26+,27-,28+,29?,30?,32+,33-,34?,35-,36+,37?/m1/s1
【InChIKey】
InChIKey=NEWMWGLPJQHSSQ-VRNHVFNGSA-N
【SMILES】
C[C@@H]1CC2(C3C(O3)(C(O2)O)C)OC4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:11
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ACTEIN.cml
Quick Release
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