(Q27166290)

BRD-A68650781-001-01-1 (English)

9 October 2016

chemical formula

C₁₉H₃₀OS

1 reference

BRD-A68650781-001-01-1 (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2O)CCC4C3(CC5C(C4)S5)C

1 reference

BRD-A68650781-001-01-1 (English)

9 October 2016

isomeric SMILES

C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@H]4[C@@]3(CC5C(C4)S5)C

1 reference

BRD-A68650781-001-01-1 (English)

InChI=1S/C19H30OS/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-17,20H,3-10H2,1-2H3/t11-,12+,13+,14-,15?,16?,17+,18+,19+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-A68650781-001-01-1 (English)

OBMLHUPNRURLOK-VMLGWULXSA-N

9 October 2016

InChIKey

2 references

BRD-A68650781-001-01-1 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-A68650781-001-01-1 (English)

9 October 2016

ChEBI ID

94429

mapping relation type

1 reference