LSM-5073 (Q27166241)

BRD-A52193669-001-01-7 (English)

9 October 2016

chemical formula

C₂₈H₃₈O₆

1 reference

BRD-A52193669-001-01-7 (English)

9 October 2016

canonical SMILES

CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO

1 reference

BRD-A52193669-001-01-7 (English)

9 October 2016

isomeric SMILES

CC1=C(C(=O)O[C@@H](C1)C(C)[C@H]2CC[C@H]3[C@]2(CCC4[C@@H]3C[C@@H]5[C@@]6([C@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO

1 reference

BRD-A52193669-001-01-7 (English)

InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15?,16-,18-,19-,20?,21+,23+,24-,26+,27-,28+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-A52193669-001-01-7 (English)

DBRXOUCRJQVYJQ-MZNHJNIISA-N

9 October 2016

InChIKey

2 references

BRD-A52193669-001-01-7 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-A52193669-001-01-7 (English)

matched by identifier from

9 October 2016

InChIKey

DBRXOUCRJQVYJQ-MZNHJNIISA-N

ChEBI ID

94393

mapping relation type

2 references

LSM-5073 (English)