(Q104947365)

English

(2E,4E,6E)-7-[(2'S,3R,4'bS,6'R,7'R,8'S,8'aS,10'aR)-6'-(acetyloxy)-8'-hydroxy-4'a,7'-dimethyl-5-methylidene-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 C₂₉H₃₂O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

524.2046326039999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₃₂O₉

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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(=C)C4=O)C

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isomeric SMILES

C=C1OC(=O)[C@@]2(C1=O)C(=O)C1(C)[C@H]3C[C@@H](OC(C)=O)[C@H](C)[C@@H](O)[C@H]3C=C[C@H]1C[C@H]2/C=C/C=C/C=C/C(=O)O

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Identifiers

InChI

InChI=1S/C29H32O9/c1-15-22(38-17(3)30)14-21-20(24(15)33)12-11-18-13-19(9-7-5-6-8-10-23(31)32)29(26(35)28(18,21)4)25(34)16(2)37-27(29)36/h5-12,15,18-22,24,33H,2,13-14H2,1,3-4H3,(H,31,32)/b6-5+,9-7+,10-8+/t15-,18-,19+,20-,21-,22+,24+,28?,29-/m0/s1

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InChIKey

BWLNMHRUYCQUPW-XABWOPFTSA-N

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PubChem CID

163188815

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BWLNMHRUYCQUPW-XABWOPFTSA-N

(Q104947365)

(2E,4E,6E)-7-[(2'S,3R,4'bS,6'R,7'R,8'S,8'aS,10'aR)-6'-(acetyloxy)-8'-hydroxy-4'a,7'-dimethyl-5-methylidene-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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