(Q27135438)

Oceanalin A (English)

7 October 2016

chemical formula

C₄₁H₇₂N₂O₉

1 reference

Oceanalin A (English)

7 October 2016

canonical SMILES

CC(C(CCCCCCCCCCCCC=CC(CCCCCCCC1C2=CC(=C(C=C2CCN1)O)O)OC)OC3C(C(C(C(O3)CO)O)O)O)N

1 reference

Oceanalin A (English)

7 October 2016

isomeric SMILES

C[C@H]([C@@H](CCCCCCCCCCCC/C=C/C(CCCCCCCC1C2=CC(=C(C=C2CCN1)O)O)OC)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)N

1 reference

Oceanalin A (English)

InChI=1S/C41H72N2O9/c1-29(42)36(51-41-40(49)39(48)38(47)37(28-44)52-41)23-19-15-10-8-6-4-3-5-7-9-12-16-20-31(50-2)21-17-13-11-14-18-22-33-32-27-35(46)34(45)26-30(32)24-25-43-33/h16,20,26-27,29,31,33,36-41,43-49H,3-15,17-19,21-25,28,42H2,1-2H3/b20-16+/t29-,31?,33?,36-,37-,38+,39+,40-,41-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

Oceanalin A (English)

HIPXPNHGBRGNFB-WWQAAKFXSA-N

7 October 2016

InChIKey

2 references

Oceanalin A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R,3R,16E)-2-Amino-25-(6,7-dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-18-methoxy-16-pentacosen-3-yl beta-D-galactopyranoside (English)

7 October 2016

2 references

Oceanalin A (English)

matched by identifier from

7 October 2016

InChIKey

HIPXPNHGBRGNFB-WWQAAKFXSA-N

Reaxys registry number

10143112

1 reference

oceanalin A (English)

7 October 2016

ChEBI ID

66806

mapping relation type

2 references

oceanalin A (English)