23670-94-2
STIGMAST-4-ENE-3,6-DIONE
Name
STIGMAST-4-ENE-3,6-DIONE
Formula
C29 H46 O2
MolWeight
426.68
1Identification
【Name】
STIGMAST-4-ENE-3,6-DIONE
【CAS】
【MDL】
MFCD09264631
【English Synonyms】
【Formula】
C29 H46 O2
【MolWeight】
426.68
【Inchi】
InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
【InChIKey】
InChIKey=UVFOCYGYACXLAY-ZDQUCUCBSA-N
【SMILES】
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C)C(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
STIGMAST-4-ENE-3,6-DIONE.cml
Quick Release
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