(Q105205291)

English

(1S,4S,5R,8R,10R,14S,16R,17R,22S,23R)-4,5,9,9,12,12,16,22,23-nonamethyl-11,13,27-trioxaheptacyclo[20.3.2.01,21.04,20.05,17.08,16.010,14]heptacos-20-en-26-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,5,9,9,12,12,16,22,23-Nonamethyl-11,13,27-trioxaheptacyclo[20.3.2.01,21.04,20.05,17.08,16.010,14]heptacos-20-en-26-one

1 reference

based on heuristic

inferred from SMILES

mass

510.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₀O₄

0 references

canonical SMILES

O=C1OC2(C3=C4CCC5C6(C)CC7OC(OC7C(C)(C)C6CCC5(C)C4(C)CCC13CCC2C)(C)C)C

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isomeric SMILES

C[C@@H]1CC[C@]23CC[C@]4(C)C(=C2[C@@]1(C)OC3=O)CC[C@@H]1[C@@]2(C)C[C@@H]3OC(C)(C)O[C@@H]3C(C)(C)[C@@H]2CC[C@]14C

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found in taxon

Photinia serratifolia

1 reference

stated in

Triterpenoids from the Edible Leaves ofPhotinia serrulata

Photinia serrulata

1 reference

stated in

Triterpenoids from the Edible Leaves ofPhotinia serrulata

Photinia glabra

1 reference

stated in

Triterpenoids from the Edible Leaves ofPhotinia serrulata

Identifiers

InChI

InChI=1S/C33H50O4/c1-19-12-15-33-17-16-30(7)20(24(33)32(19,9)37-26(33)34)10-11-23-29(6)18-21-25(36-28(4,5)35-21)27(2,3)22(29)13-14-31(23,30)8/h19,21-23,25H,10-18H2,1-9H3/t19-,21+,22+,23-,25+,29+,30-,31-,32+,33+/m1/s1

0 references

InChIKey

PBMPADBLIVUKNI-GTJKSHLTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBMPADBLIVUKNI-GTJKSHLTSA-N

(Q105205291)

(1S,4S,5R,8R,10R,14S,16R,17R,22S,23R)-4,5,9,9,12,12,16,22,23-nonamethyl-11,13,27-trioxaheptacyclo[20.3.2.01,21.04,20.05,17.08,16.010,14]heptacos-20-en-26-one

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Identifiers

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