(Q76085166)

English

5-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

416.2198887439999 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

3,12,14-Trihydroxy-11-oxobufa-20,22-dienolide

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based on heuristic

inferred from InChIKey

1 reference

C₂₄H₃₂O₆

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canonical SMILES

CC12CCC(O)CC1CCC1C2C(=O)C(O)C2(C)C(c3ccc(=O)oc3)CCC12O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)[C@@H]([C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O

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Identifiers

InChI

InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19,21,25,28-29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,21+,22+,23+,24+/m1/s1

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InChIKey

SOGONHOGEFLVPE-BHZHDSHXSA-N

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CAS Registry Number

17008-69-4

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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1 reference

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matched by identifier from

InChIKey

SOGONHOGEFLVPE-BHZHDSHXSA-N

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

SOGONHOGEFLVPE-BHZHDSHXSA-N

(Q76085166)

5-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

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