(Q27256446)

[(3S,8R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

UNII-3596SFA73E (English)

14 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O₂

1 reference

UNII-3596SFA73E (English)

14 October 2016

canonical SMILES

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

1 reference

UNII-3596SFA73E (English)

14 October 2016

isomeric SMILES

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

1 reference

UNII-3596SFA73E (English)

InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23-,24+,25-,26+,27+,28+,29-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-3596SFA73E (English)

XUGISPSHIFXEHZ-GPJXBBLFSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-3596SFA73E (English)

14 October 2016

1 reference

UNII

3596SFA73E

epicholesterol acetate (English)

14 October 2016

1 reference

3a-Cholesterol acetate (English)

14 October 2016

2 references

UNII-3596SFA73E (English)

matched by identifier from

14 October 2016

InChIKey

XUGISPSHIFXEHZ-GPJXBBLFSA-N

1 reference

2 references

Global Substance Registration System

UNII

3596SFA73E

epicholesterol acetate (English)