3-O-acetyluncaric acid (Q27136593)

CHEBI:68102 (English)

7 October 2016

chemical formula

C₃₂H₅₀O₆

1 reference

CHEBI:68102 (English)

7 October 2016

canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(C5(C)C)OC(=O)C)C)O)C)C2C1(C)O)C)C(=O)O

1 reference

CHEBI:68102 (English)

7 October 2016

isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)O)C)[C@@H]2[C@]1(C)O)C)C(=O)O

1 reference

Antituberculosis cycloartane triterpenoids from Radermachera boniana.

CHEBI:68102 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-22-28(5)13-12-23(38-19(2)33)27(3,4)25(28)21(34)17-30(22,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22-,23+,24-,25+,28-,29-,30-,31-,32+/m1/s1

1 reference

CHEBI:68102 (English)

KBYMABZAFBTCMQ-IQJXLAGFSA-N

7 October 2016

InChIKey

2 references

CHEBI:68102 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,6beta)-3-Acetoxy-6,19-dihydroxyurs-12-en-28-oic acid (English)

7 October 2016

1 reference

CHEBI:68102 (English)

7 October 2016

ChEBI ID

68102

mapping relation type

1 reference

3-O-acetyluncaric acid (English)

7 October 2016

1 reference