(Q104200360)

English

2-[2,5-bis(acetyloxy)-3a,3b,6,9a-tetramethyl-4,7-dioxo-2H,3H,5H,5aH,6H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ylidene]-6-hydroxy-6-methylheptanoic acid

group of stereoisomers with the chemical formula C₃₃H₄₆O₉

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instance of

group of stereoisomers

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subclass of

fusidane triterpenoid

1 reference

inferred from

fusidane triterpenoid

mass

586.3141830519999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₆O₉

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canonical SMILES

O=C(O)C(=C1C(OC(=O)C)CC2(C)C1CCC3C4(C=CC(=O)C(C)C4C(OC(=O)C)C(=O)C32C)C)CCCC(O)(C)C

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Identifiers

InChI

InChI=1S/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)

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InChIKey

WLRJWQXWJBEULT-UHFFFAOYSA-N

0 references

PubChem CID

74348231

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WLRJWQXWJBEULT-UHFFFAOYSA-N

(Q104200360)

2-[2,5-bis(acetyloxy)-3a,3b,6,9a-tetramethyl-4,7-dioxo-2H,3H,5H,5aH,6H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ylidene]-6-hydroxy-6-methylheptanoic acid

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