1Identification
【Name】
雷藤素甲
【CAS】
【MDL】
MFCD00210565
【中文同义词】
【EnglishSynonyms】
(3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-8B-METHYL-6A-(1-METHYLETHYL)TRISOXIRENO[4B,5:6,7:8A,9]PHENANTHRO[1,2-C]FURAN-1(3H)-ONE
(3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-8BETA-METHYL-6ALPHA-(1-METHYLETHYL)-TRISOXIRENO[4B,5:6,7:8A,9]PHENANTHRO[1,2-C]FURAN-1(3H)-ONE
(3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-6-HYDROXY-6A-ISOPROPYL-8B-METHYL-3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDROTRISOXIRENO[6,7:8A
【pro_formula】
C20 H24 O6
【pro_molWeight】
360.404
【Inchi】
InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
【InChIKey】
InChIKey=DFBIRQPKNDILPW-CIVMWXNOSA-N
【SMILES】
CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:FB
3MaterialMSDS
【secure_security_stmt】
【secure_wgk_germany】
3
4CMLFile
雷藤素甲.cml