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Smardaesidin F

PropertiesImage
MNX_IDMNXM108852 Image of MNXM108852
referencechebi:69492
formulaC19H28O4
global charge0
mol weight320.429
InChIKeySLJLRTXXPOAPDF-DSLXNQLJSA-N
InChIInChI=1S/C19H28O4/c1-5-17(4)9-10-18(22)12-7-6-8-16(2,3)13(12)14(20)15(21)19(18,23)11-17/h5,15,21-23H,1,6-11H2,2-4H3/t15-,17-,18-,19+/m0/s1
SMILESC=C[C@@]1(C)CC[C@]2(O)C3=C(C(=O)[C@H](O)[C@]2(O)C1)C(C)(C)CCC3
MNX internals
InChI (mnx)InChI=1/C19H28O4/c1-5-17(4)9-10-18(22)12-7-6-8-16(2,3)13(12)14(20)15(21)19(18,23)11-17/h5,15,21-23H,1,6-11H2,2-4H3/t15-,17-,18-,19+/m0/s1 Image of MNXM108852
SMILES (mnx)[CH2:1]=[CH:5][C@@:17]1([CH3:4])[CH2:9][CH2:10][C@:18]2([OH:22])[C:12]3=[C:13]([C:14](=[O:20])[C@H:15]([OH:21])[C@:19]2([OH:23])[CH2:11]1)[C:16]([CH3:2])([CH3:3])[CH2:8][CH2:6][CH2:7]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:69492
chebi:69492
SLJLRTXXPOAPDF-DSLXNQLJSA-N
Smardaesidin F
7beta,8alpha,9alpha-trihydroxy-20-norisopimara-5(10),15-dien-6-one