(Q104915362)

English

[(5S,7R,8R,9R,10R,13R,17R)-4,4,8,10,13-pentamethyl-3,16-dioxo-17-(5-oxo-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4,4,8,10,13-pentamethyl-3,16-dioxo-17-(5-oxo-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

466.235538808 dalton

1 reference

1 reference

1 reference

C₂₈H₃₄O₆

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canonical SMILES

O=C1OCC=C1C2C(=O)C=C3C2(C)CCC4C5(C=CC(=O)C(C)(C)C5CC(OC(=O)C)C34C)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)C(=CC(=O)[C@H]3C3=CCOC3=O)[C@]12C

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found in taxon

Azadirachta indica

1 reference

stated in

Triterpenoids of the fruit coats of azadirachta indica

Identifiers

InChI

InChI=1S/C28H34O6/c1-15(29)34-22-14-19-25(2,3)21(31)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)13-17(30)23(27)16-9-12-33-24(16)32/h8-9,11,13,18-19,22-23H,7,10,12,14H2,1-6H3/t18-,19-,22-,23-,26-,27+,28-/m1/s1

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InChIKey

ANQXYDNAHFDKKH-LDCWKZAHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ANQXYDNAHFDKKH-LDCWKZAHSA-N

(Q104915362)

[(5S,7R,8R,9R,10R,13R,17R)-4,4,8,10,13-pentamethyl-3,16-dioxo-17-(5-oxo-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate

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Identifiers

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