(Q27158874)

SCHEMBL5146902 (English)

9 October 2016

chemical formula

C₂₇H₄₆O₃

1 reference

SCHEMBL5146902 (English)

9 October 2016

canonical SMILES

CC(CCC(C(C)(C)O)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

1 reference

SCHEMBL5146902 (English)

9 October 2016

isomeric SMILES

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

1 reference

SCHEMBL5146902 (English)

InChI=1S/C27H46O3/c1-17(6-11-24(29)25(2,3)30)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL5146902 (English)

OFNJCHBCBBSWHW-XVYZBDJZSA-N

9 October 2016

InChIKey

2 references

SCHEMBL5146902 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

SCHEMBL5146902 (English)

matched by identifier from

9 October 2016

InChIKey

OFNJCHBCBBSWHW-XVYZBDJZSA-N

Reaxys registry number

2629565

1 reference

(24S,25)-dihydroxycholesterol (English)

9 October 2016

ChEBI ID

86074

mapping relation type

2 references

(24S,25)-dihydroxycholesterol (English)