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terpendole C

MNXM146627 is deprecated and here replaced by MNXM1100328
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100328

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₃₂H₄₁NO₅

charge

mass

519.29847

reference

chebi:144410

InChIKey

WUOATFFODCBZBE-SCGIUCFSSA-N

InChI

InChI=1S/C32H41NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,15,18,22-24,26-27,33-34H,11-14,16H2,1-6H3/t18-,22-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1

SMILES

CC(C)=C[C@H]1O[C@@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@]5(C)c6[nH]c7ccccc7c6C[C@@H]5CC[C@@]4(O)[C@]34O[C@H]24)C(C)(C)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:144410 chebi:144410	terpendole C (-)-terpendole C (3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-1,1,13b,13c-tetramethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-3H,5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol
seed.compound:cpd31181 seedM:cpd31181 kegg.compound:C20546 keggC:C20546	Terpendole C
metacyc.compound:CPD-17198 metacycM:CPD-17198 seed.compound:cpd31768 seedM:cpd31768	terpendole C
keggC:M_C20546 seedM:M_cpd31181 seedM:M_cpd31768	secondary/obsolete/fantasy identifier