(Q105275899)

English

(4E,6E)-7-[(2'S,3R,4'bS,5R,6'R,7'R,8'S,8'aR,10'aR)-6'-(acetyloxy)-8'-hydroxy-5-(hydroxymethyl)-4'a,7'-dimethyl-2,4,4'-trioxo-2',4'b,5',6',7',8',8'a,10'a-octahydro-1'H-spiro[oxolane-3,3'-phenanthren]-2'-yl]hepta-2,4,6-trienoic acid

group of stereoisomers with the chemical formula C₂₉H₃₄O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

542.2151972879998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₃₄O₁₀

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canonical SMILES

O=C(O)C=CC=CC=CC1CC2C=CC3C(O)C(C)C(OC(=O)C)CC3C2(C(=O)C41C(=O)OC(C4=O)CO)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@H]2[C@@H](C=C[C@H]3C[C@@H](/C=C/C=C/C=CC(=O)O)[C@@]4(C(=O)O[C@H](CO)C4=O)C(=O)C23C)[C@H](O)[C@H]1C

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Identifiers

InChI

InChI=1S/C29H34O10/c1-15-21(38-16(2)31)13-20-19(24(15)34)11-10-17-12-18(8-6-4-5-7-9-23(32)33)29(26(36)28(17,20)3)25(35)22(14-30)39-27(29)37/h4-11,15,17-22,24,30,34H,12-14H2,1-3H3,(H,32,33)/b5-4+,8-6+,9-7?/t15-,17-,18+,19+,20-,21+,22+,24+,28?,29-/m0/s1

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InChIKey

UNCBZODCSVGKDO-SZSKQHKESA-N

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PubChem CID

163187256

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UNCBZODCSVGKDO-SZSKQHKESA-N

(Q105275899)

(4E,6E)-7-[(2'S,3R,4'bS,5R,6'R,7'R,8'S,8'aR,10'aR)-6'-(acetyloxy)-8'-hydroxy-5-(hydroxymethyl)-4'a,7'-dimethyl-2,4,4'-trioxo-2',4'b,5',6',7',8',8'a,10'a-octahydro-1'H-spiro[oxolane-3,3'-phenanthren]-2'-yl]hepta-2,4,6-trienoic acid

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