(Q105202411)

English

Brassicasterone

group of stereoisomers with the chemical formula C₂₈H₄₄O

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Statements

group of stereoisomers

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ergostane steroid

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ergostane steroid

396.339216028 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₄O

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canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C=CC(C)C(C)C)C)C2(C)CC1

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isomeric SMILES

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

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Identifiers

InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+/t19-,20+,23?,24+,25-,26-,27-,28+/m0/s1

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OWYXOXZSAKVGHJ-UETSRXSTSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

OWYXOXZSAKVGHJ-UETSRXSTSA-N

UniChem compound ID

1 reference

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