(Q27134217)

CHEBI:65734 (English)

7 October 2016

chemical formula

C₃₂H₄₆O₉

1 reference

CHEBI:65734 (English)

7 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4=CCC3C2)O)C6=CC(=O)OC6)C)C)OC(=O)C)OC)O

1 reference

CHEBI:65734 (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5(C4=CC[C@@H]3C2)O)C6=CC(=O)OC6)C)C)OC(=O)C)OC)O

1 reference

New cytotoxic cardenolide glycoside from the seeds of Cerbera manghas

CHEBI:65734 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C32H46O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h7,14,17,20-23,26-29,35-36H,6,8-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,26-,27+,28-,29-,30-,31+,32-/m0/s1

1 reference

CHEBI:65734 (English)

MJWBKZJOFFGTCD-ZSCKLWMASA-N

7 October 2016

InChIKey

2 references

CHEBI:65734 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,5beta)-3-[(2-O-Acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycarda-7,20(22)-dienolide (English)

7 October 2016

2 references

CHEBI:65734 (English)

matched by identifier from

7 October 2016

InChIKey

MJWBKZJOFFGTCD-ZSCKLWMASA-N

Reaxys registry number

9889851

1 reference

7,8-dehydrocerberin (English)

7 October 2016

ChEBI ID

65734

mapping relation type

2 references

7,8-dehydrocerberin (English)