(Q105249690)

English

(3R,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

group of stereoisomers with the chemical formula C₂₈H₄₈O₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

448.355260016 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₈O₄

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canonical SMILES

O=C1CC2C3CCC(C(C)C(O)C(O)C(C)C(C)C)C3(C)CCC2C4(C)CCC(O)CC14

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isomeric SMILES

CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CCC2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Senna obtusifolia

1 reference

stated in

Brassinosteroids and Monoglycerides in Immature Seeds ofCassia toraas the Active Principles in the Rice Lamina Inclination Bioassay

Identifiers

InChI

InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1

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InChIKey

SBSXXCCMIWEPEE-KIAMPEDASA-N

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1 reference

4 January 2023

inferred from InChIKey

1 reference

(Q105249690)

(3R,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

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Identifiers

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