(Q27138345)

CHEBI:70002 (English)

7 October 2016

chemical formula

C₃₂H₅₂O₆

1 reference

CHEBI:70002 (English)

7 October 2016

canonical SMILES

CC(CCCC(C)(C)O)C1CCC2(C1(CCC34C2C(CC5C3(C4)CCC(C5(C)C(=O)O)O)OC(=O)C)C)C

1 reference

CHEBI:70002 (English)

7 October 2016

isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2[C@H](C[C@@H]5[C@]3(C4)CC[C@@H]([C@@]5(C)C(=O)O)O)OC(=O)C)C)C

1 reference

CHEBI:70002 (English)

InChI=1S/C32H52O6/c1-19(9-8-12-27(3,4)37)21-10-13-29(6)25-22(38-20(2)33)17-23-30(7,26(35)36)24(34)11-14-31(23)18-32(25,31)16-15-28(21,29)5/h19,21-25,34,37H,8-18H2,1-7H3,(H,35,36)/t19-,21-,22+,23+,24+,25+,28-,29+,30+,31-,32+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:70002 (English)

LOKNWCZJYFDEAJ-CGWCZXMOSA-N

7 October 2016

InChIKey

2 references

CHEBI:70002 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

combretic acid A (English)

7 October 2016

1 reference

(3beta,7beta,9beta)-7-Acetoxy-3,25-dihydroxy-9,19-cyclolanostan-28-oic acid (English)

7 October 2016

1 reference

CHEBI:70002 (English)

7 October 2016

Reaxys registry number

21312861

1 reference

combretic acid A (English)

7 October 2016

ChEBI ID

70002

mapping relation type

1 reference