(1S)-3-[2-[(3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol (Q27167031)

Spectrum_000811 (English)

10 October 2016

chemical formula

C₂₈H₄₄O

1 reference

Spectrum_000811 (English)

10 October 2016

canonical SMILES

CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

1 reference

Spectrum_000811 (English)

10 October 2016

isomeric SMILES

C[C@H](C=C[C@H](C)C(C)C)C1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C

1 reference

Spectrum_000811 (English)

InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/t20-,22+,25-,26?,27-,28+/m0/s1

10 October 2016

Identifiers

InChI

1 reference

Spectrum_000811 (English)

MECHNRXZTMCUDQ-AUNAYUHPSA-N

10 October 2016

InChIKey

2 references

Spectrum_000811 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3S,17xi)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (English)

10 October 2016

2 references

Spectrum_000811 (English)

matched by identifier from

10 October 2016

InChIKey

MECHNRXZTMCUDQ-AUNAYUHPSA-N

ChEBI ID

95213

mapping relation type

2 references

(1S)-3-[2-[(3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol (English)