(Q27145832)

CHEBI:76238 (English)

(3R,5R,8R,9R,10R,12R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

8 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

1 reference

(20S)-protopanaxadiol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₃

1 reference

CHEBI:76238 (English)

8 October 2016

canonical SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)C

1 reference

CHEBI:76238 (English)

8 October 2016

isomeric SMILES

CC(=CCCC(C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)C

1 reference

CHEBI:76238 (English)

InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30?/m0/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:76238 (English)

PYXFVCFISTUSOO-BKYULYPYSA-N

8 October 2016

InChIKey

2 references

CHEBI:76238 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,12beta,20xi)-Dammar-24-ene-3,12,20-triol (English)

8 October 2016

2 references

CHEBI:76238 (English)

matched by identifier from

8 October 2016

InChIKey

PYXFVCFISTUSOO-BKYULYPYSA-N

Reaxys registry number

21704051

1 reference

protopanaxadiol (English)

8 October 2016

ChEBI ID

76238

mapping relation type

2 references

protopanaxadiol (English)