(Q105273779)

English

(3S,5S,8R,9S,10S,13R,14S,16S,17R)-3,5,14,16-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,3a,5a,7-tetrahydroxy-11a-methyl-1-(6-oxopyran-3-yl)-dodecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

432.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₇

0 references

canonical SMILES

O=CC12CCC(O)CC2(O)CCC3C1CCC4(C)C(C5=COC(=O)C=C5)C(O)CC34O

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isomeric SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1

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found in taxon

Drimia elata

1 reference

stated in

Bufadienolides from Drimia robusta BAK

Identifiers

InChI

InChI=1S/C24H32O7/c1-21-7-5-16-17(6-9-23(29)10-15(26)4-8-22(16,23)13-25)24(21,30)11-18(27)20(21)14-2-3-19(28)31-12-14/h2-3,12-13,15-18,20,26-27,29-30H,4-11H2,1H3/t15-,16-,17+,18-,20-,21+,22-,23-,24-/m0/s1

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InChIKey

UIZLNEHNQJELIE-GHFDIACOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

LIPID MAPS ID

LMST01130044

1 reference

InChIKey

UIZLNEHNQJELIE-GHFDIACOSA-N

17 April 2021

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

(Q105273779)

(3S,5S,8R,9S,10S,13R,14S,16S,17R)-3,5,14,16-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Statements

Identifiers

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