(Q104253934)

English

(1R,2R,7R,11R,12S,16S)-15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one

group of stereoisomers with the chemical formula C₂₉H₅₀O₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

(2R,16S)-15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one

1 reference

based on heuristic

inferred from SMILES

mass

494.36073932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O₆

0 references

canonical SMILES

O=C1OCC2C3CCC(C(C)C(O)C(O)C(CC)C(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14

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isomeric SMILES

CCC(C(C)C)C(O)C(O)C(C)C1CC[C@H]2[C@H]3COC(=O)[C@@H]4CC(O)C(O)C[C@]4(C)[C@@H]3CC[C@]12C

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found in taxon

Phaseolus vulgaris

1 reference

stated in

Diverse structural variations of the brassinosteroids in Phaseolus vulgaris seed.

Identifiers

InChI

InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16?,17?,18-,19?,20+,21-,22+,23?,24?,25?,26?,28-,29-/m1/s1

0 references

InChIKey

HJIKODJJEORHMZ-JUYUDSHZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HJIKODJJEORHMZ-JUYUDSHZSA-N

(Q104253934)

(1R,2R,7R,11R,12S,16S)-15-(5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one

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Identifiers

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