(Q104990542)

English

[(5S,6R)-5,6-dihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[5,6-dihydroxy-2-methyl-6-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

522.319268432 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O₈

0 references

canonical SMILES

O=C(OC(C)(C)CCC(O)C(O)(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C

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isomeric SMILES

CC(=O)OC(C)(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

0 references

found in taxon

Silene praemixta

1 reference

stated in

Phytoecdysteroids of plants of the genusSilene. VIII. 2-Deoxyecdysterone 3-acetate fromSilene praemixta

Identifiers

InChI

InChI=1S/C29H46O8/c1-16(30)37-25(2,3)10-9-24(34)28(6,35)23-8-12-29(36)18-13-20(31)19-14-21(32)22(33)15-26(19,4)17(18)7-11-27(23,29)5/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17-,19-,21+,22-,23-,24-,26+,27+,28+,29+/m0/s1

0 references

InChIKey

DWHBRFSKXQCVDN-OETGPJTOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWHBRFSKXQCVDN-OETGPJTOSA-N

(Q104990542)

[(5S,6R)-5,6-dihydroxy-2-methyl-6-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate

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Identifiers

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