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17-defurano-17-oxosalannin

Properties

Image

Occurences in reactions

MNX_ID

MNXM101480

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

formula

C₃₀H₄₀O₉

charge

mass

544.26723

reference

chebi:67312

InChIKey

LGQIDAUSKKGKHE-RYKSROFQSA-N

InChI

InChI=1S/C30H40O9/c1-9-14(2)27(34)39-21-12-20(37-16(4)31)28(5)13-36-24-25(28)29(21,6)19(11-22(33)35-8)30(7)23-15(3)17(32)10-18(23)38-26(24)30/h9,18-21,24-26H,10-13H2,1-8H3/b14-9+/t18-,19-,20-,21+,24-,25+,26-,28-,29+,30-/m1/s1

SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5CC(=O)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67312 chebi:67312	17-defurano-17-oxosalannin (2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-3-(acetyloxy)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-8-oxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl (2E)-2-methylbut-2-enoate