(Q104988036)

English

[(2S,3S,9R,10R,13R,14S,17S)-17-[(2R,3S)-2,3-dihydroxy-6-methylheptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-(2,3-dihydroxy-6-methylheptan-2-yl)-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

504.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₇

0 references

canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CCC(C)C)C4(C1=CC(O)C(OC(=O)C)C4)C

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(C)C(=C[C@@H]1O)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@@](C)(O)[C@@H](O)CCC(C)C)CC[C@@]12O

0 references

found in taxon

Laurencia pinnata

1 reference

stated in

Ecdysone-like metabolites, 14α-hydroxypinnasterols, from the red alga Laurencia pinnata

Identifiers

InChI

InChI=1S/C29H44O7/c1-16(2)7-8-25(33)28(6,34)24-10-12-29(35)19-13-21(31)20-14-22(32)23(36-17(3)30)15-26(20,4)18(19)9-11-27(24,29)5/h13-14,16,18,22-25,32-35H,7-12,15H2,1-6H3/t18-,22-,23-,24-,25-,26+,27+,28+,29+/m0/s1

0 references

InChIKey

DSUCAAVPQVDURP-GDWZJECPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DSUCAAVPQVDURP-GDWZJECPSA-N

(Q104988036)

[(2S,3S,9R,10R,13R,14S,17S)-17-[(2R,3S)-2,3-dihydroxy-6-methylheptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate

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