(Q27166978)

MLS000069839 (English)

10 October 2016

chemical formula

C₃₂H₄₁N₅O₅

1 reference

MLS000069839 (English)

10 October 2016

canonical SMILES

CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

1 reference

MLS000069839 (English)

10 October 2016

isomeric SMILES

CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

1 reference

MLS000069839 (English)

InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24?,25+,26?,31-,32+/m1/s1

10 October 2016

Identifiers

InChI

1 reference

MLS000069839 (English)

YDOTUXAWKBPQJW-ISVRSENOSA-N

10 October 2016

InChIKey

2 references

MLS000069839 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5xi,5'alpha,11'xi)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman (English)

10 October 2016

1 reference

(5xi,5'alpha,11'xi)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman (English)

10 October 2016

1 reference

MLS000069839 (English)

10 October 2016

ChEBI ID

95175

mapping relation type

1 reference

LSM-6455 (English)

10 October 2016

1 reference