English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

LX8

Summary

Name:	2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate
Formula:	C21 H24 O5
Formal charge:	0
Formula weight:	356.412 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate
OpenEye OEToolkits	1.7.0	2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl ethanoate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC(C)(C)C3Oc2cc1OC(=O)C(=Cc1cc2C3)C(/C=C)(C)C)C
SMILES_CANONICAL	CACTVS	3.370	CC(=O)OC(C)(C)[C@@H]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C
SMILES	CACTVS	3.370	CC(=O)OC(C)(C)[CH]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C
SMILES	OpenEye OEToolkits	1.7.0	CC(=O)OC(C)(C)C1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C
InChI	InChI	1.03	InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1
InChIKey	InChI	1.03	AWMHMGFGCLBSAY-SFHVURJKSA-N

218853

PDB entries from 2024-04-24

PDB statistics

PDBj update info

Contact PDBj

numon