asprellic acid C (Q27133899)

Asprellic acid C (English)

7 October 2016

1 reference

C₄₈H₆₀O₈

1 reference

Asprellic acid C (English)

7 October 2016

canonical SMILES

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)C)C2C1)COC(=O)C=CC7=CC=C(C=C7)O)C(=O)O)C

1 reference

Asprellic acid C (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)COC(=O)/C=C/C6=CC=C(C=C6)O)C)(C)C)OC(=O)/C=C\C7=CC=C(C=C7)O

1 reference

Antitumor agents, 145. Cytotoxic asprellic acids A and C and asprellic acid B. new p-coumaroyl triterpenes, from Ilex asprella

Asprellic acid C (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12-/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1

1 reference

Asprellic acid C (English)

YBOIBOWMTWFCEG-AINGNVPBSA-N

7 October 2016

InChIKey

2 references

Asprellic acid C (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta)-27-{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}-3-{[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-oic acid (English)

7 October 2016

1 reference

Asprellic acid C (English)

7 October 2016

ChEBI ID

65456

mapping relation type

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

asprellic acid C (English)

7 October 2016

1 reference

1 reference