17086-76-9
CYASTERONE
Name
CYASTERONE
Formula
C29 H44 O8
MolWeight
520.659
1Identification
【Name】
CYASTERONE
【CAS】
【MDL】
MFCD01683622
【English Synonyms】
【Formula】
C29 H44 O8
【MolWeight】
520.659
【Inchi】
InChI=1S/C29H44O8/c1-14-24(15(2)37-25(14)34)22(33)13-28(5,35)23-7-9-29(36)17-10-19(30)18-11-20(31)21(32)12-26(18,3)16(17)6-8-27(23,29)4/h10,14-16,18,20-24,31-33,35-36H,6-9,11-13H2,1-5H3/t14-,15+,16-,18-,20+,21-,22+,23-,24+,26+,27+,28-,29+/m0/s1
【InChIKey】
InChIKey=DKBATNLWMJZUHQ-YCEMLVTESA-N
【SMILES】
C[C@H]1[C@H]([C@H](OC1=O)C)[C@@H](C[C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
CYASTERONE.cml
Quick Release
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