Aureobasidin s2b

Formula: C60H92N8O12
Molecular weight: 1117.40
Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CCO)C(C)(C)O)C)CC(C)C)C(C)C)C

Download

Aureobasidin s2b

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Aureobasidin s2b
First synonym: Aureobasidin s2b
Synonyms: Aureobasidin S2b,153954-73-5,3,6-dibenzyl-24-butan-2-yl-12-(4-hydroxybutan-2-yl)-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone

Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CCO)C(C)(C)O)C)CC(C)C)C(C)C)C
Isomeric smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CCO)C(C)(C)O)C)CC(C)C)C(C)C)C
Inchi: InChI=1S/C60H92N8O12/c1-16-38(8)46-57(76)65(13)47(36(4)5)52(71)61-42(32-35(2)3)55(74)67(15)50(60(10,11)79)59(78)80-49(39(9)29-31-69)58(77)66(14)48(37(6)7)53(72)62-43(33-40-24-19-17-20-25-40)54(73)64(12)45(34-41-26-21-18-22-27-41)56(75)68-30-23-28-44(68)51(70)63-46/h17-22,24-27,35-39,42-50,69,79H,16,23,28-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)
Inchikey: SJMVYAHBOJDUII-UHFFFAOYSA-N

Select an endpoint:

Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

Select an endpoint:

Category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

Select an endpoint:

Category	Sub category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

Select an endpoint:

Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
296	Aureobasidium pullulans R106