(Q27163653)

MLS001060831 (English)

9 October 2016

chemical formula

C₂₃H₃₄O₄

1 reference

MLS001060831 (English)

9 October 2016

canonical SMILES

CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C3CCC2(C1(C)O)C)C

1 reference

MLS001060831 (English)

9 October 2016

isomeric SMILES

CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C3CCC2([C@]1(C)O)C)C

1 reference

MLS001060831 (English)

InChI=1S/C23H34O4/c1-14(24)27-20-8-7-19-17-6-5-15-13-16(25)9-11-21(15,2)18(17)10-12-22(19,3)23(20,4)26/h13,17-20,26H,5-12H2,1-4H3/t17?,18?,19?,20?,21?,22?,23-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

MLS001060831 (English)

UQVKMBXGBQPSIA-BODHGXFRSA-N

9 October 2016

InChIKey

2 references

MLS001060831 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S)-1-Hydroxy-1,10a,12a-trimethyl-8-oxo-1,2,3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-hexadecahydro-2-chrysenyl acetate (English)

9 October 2016

1 reference

(1S)-1-Hydroxy-1,10a,12a-trimethyl-8-oxo-1,2,3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-hexadecahydro-2-chrysenyl acetate (English)

9 October 2016

1 reference

MLS001060831 (English)

9 October 2016

ChEBI ID

91859

mapping relation type

1 reference

acetic acid [(1S)-1-hydroxy-1,10a,12a-trimethyl-8-oxo-2,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl] ester (English)

9 October 2016

1 reference