(Q27137562)

CHEBI:69223 (English)

3beta-Hydroxyoleana-11,13(18)-dien-28-oic acid

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₃

1 reference

CHEBI:69223 (English)

7 October 2016

canonical SMILES

CC1(CCC2(CCC3(C(=C2C1)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C(=O)O)C

1 reference

CHEBI:69223 (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5CC(CC[C@@]5(CC[C@]43C)C(=O)O)(C)C)C)(C)C)O

1 reference

Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.

CHEBI:69223 (English)

7 October 2016

2 references

stated in

Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.

Mulguraea tridens

1 reference

stated in

Oleanane triterpenes from Junellia tridens.

Identifiers

InChI

InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21-,22+,23+,27-,28+,29+,30-/m0/s1

1 reference

CHEBI:69223 (English)

XMOMYSSKYVFTKO-LNVXMQETSA-N

7 October 2016

InChIKey

2 references

CHEBI:69223 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3alpha)-3-Hydroxyoleana-11,13(18)-dien-28-oic acid (English)

7 October 2016

2 references

CHEBI:69223 (English)

matched by identifier from

7 October 2016

InChIKey

XMOMYSSKYVFTKO-LNVXMQETSA-N

Reaxys registry number

8739750

1 reference

3alpha-hydroxyolean-11,13(18)-dien-28-oic acid (English)

7 October 2016

ChEBI ID

69223

mapping relation type

2 references

3alpha-hydroxyolean-11,13(18)-dien-28-oic acid (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21-,22+,23+,27-,28+,29+,30-/m0/s1

1 reference