(Q27149431)

CHEBI:80402 (English)

8 October 2016

chemical formula

C₂₈H₄₆O₃

1 reference

CHEBI:80402 (English)

8 October 2016

canonical SMILES

CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O

1 reference

CHEBI:80402 (English)

8 October 2016

isomeric SMILES

C[C@@H]([C@H]1CCC2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O

1 reference

CHEBI:80402 (English)

InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h15-18,21-26,30-31H,7-14H2,1-6H3/t17-,18-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:80402 (English)

PCLHVGYGQYOJEF-DELKORAPSA-N

8 October 2016

InChIKey

2 references

CHEBI:80402 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(14xi,22R,23R,24S)-22,23-Dihydroxyergost-4-en-3-one (English)

8 October 2016

1 reference

CHEBI:80402 (English)

8 October 2016

ChEBI ID

80402

mapping relation type

1 reference

(22R,23R)-22,23-Dihydroxy-campest-4-en-3-one (English)

8 October 2016

1 reference

1 reference

(22R,23R)-22,23-Dihydroxy-campest-4-en-3-one (English)