(Q105116889)

English

(2S,3R,5R,10R,13R,14S)-2,3,14-trihydroxy-17-[(2R,3R)-6-hydroxy-2,3-dimethoxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

group of stereoisomers with the chemical formula C₂₉H₄₈O₇

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Statements

instance of

group of stereoisomers

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1 reference

508.340003876 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₇

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canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(OC)(C)C(OC)CCC(O)(C)C)C4(C)CC(O)C(O)CC14

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isomeric SMILES

CO[C@H](CCC(C)(C)O)[C@](C)(OC)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C

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found in taxon

Sida spinosa

1 reference

stated in

Ecdysteroids and other constituents from Sida spinosa L.

Identifiers

InChI

InChI=1S/C29H48O7/c1-25(2,33)11-10-24(35-6)28(5,36-7)23-9-13-29(34)18-14-20(30)19-15-21(31)22(32)16-26(19,3)17(18)8-12-27(23,29)4/h14,17,19,21-24,31-34H,8-13,15-16H2,1-7H3/t17?,19-,21+,22-,23?,24+,26+,27+,28+,29+/m0/s1

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InChIKey

IOUJVEYJNDNYSD-KFRHBURISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IOUJVEYJNDNYSD-KFRHBURISA-N

(Q105116889)

(2S,3R,5R,10R,13R,14S)-2,3,14-trihydroxy-17-[(2R,3R)-6-hydroxy-2,3-dimethoxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

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Identifiers

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