(Q104912691)

English

[6-Hydroxy-7,7-dimethyl-5-oxo-3-(7,11,16-trihydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxepan-2-yl] acetate

group of stereoisomers with the chemical formula C₃₂H₄₆O₉

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instance of

group of stereoisomers

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subclass of

apotirucallane triterpenoid

1 reference

inferred from

apotirucallane triterpenoid

mass

574.3141830519999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₆O₉

0 references

canonical SMILES

O=C(OC1OC(C)(C)C(O)C(=O)CC1C2C(O)C=C3C2(C)CC(O)C4C5(C=CC(=O)C(C)(C)C5CC(O)C34C)C)C

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Identifiers

InChI

InChI=1S/C32H46O9/c1-15(33)40-27-16(11-18(35)26(39)29(4,5)41-27)24-17(34)12-21-31(24,7)14-19(36)25-30(6)10-9-22(37)28(2,3)20(30)13-23(38)32(21,25)8/h9-10,12,16-17,19-20,23-27,34,36,38-39H,11,13-14H2,1-8H3

0 references

InChIKey

AIEVJENUSKHWHX-UHFFFAOYSA-N

0 references

PubChem CID

162929083

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AIEVJENUSKHWHX-UHFFFAOYSA-N

(Q104912691)

[6-Hydroxy-7,7-dimethyl-5-oxo-3-(7,11,16-trihydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxepan-2-yl] acetate

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