cyprinol (Q27122057)

SCHEMBL16226032 (English)

6 October 2016

chemical formula

C₂₇H₄₈O₅

1 reference

SCHEMBL16226032 (English)

6 October 2016

canonical SMILES

CC(CCCC(CO)CO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

1 reference

SCHEMBL16226032 (English)

6 October 2016

isomeric SMILES

C[C@H](CCCC(CO)CO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C

1 reference

SCHEMBL16226032 (English)

InChI=1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-25-22(13-24(32)27(20,21)3)26(2)10-9-19(30)11-18(26)12-23(25)31/h16-25,28-32H,4-15H2,1-3H3/t16-,18?,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

SCHEMBL16226032 (English)

JNMALBXXJSWZQY-VKYZUIDCSA-N

6 October 2016

InChIKey

2 references

SCHEMBL16226032 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3alpha,7alpha,12alpha)-Cholestane-3,7,12,26,27-pentol (English)

6 October 2016

1 reference

SCHEMBL16226032 (English)

6 October 2016

ChEBI ID

50421

mapping relation type

2 references

cyprinol (English)