(Q105157503)

English

(1S,4S,5R,8R,9R,14S,17S,18R,21S,22R)-4,5,9,12,12,17,24,24-octamethyl-11,13,28-trioxaheptacyclo[19.5.2.01,22.04,21.05,18.08,17.09,14]octacos-19-ene

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,5,9,12,12,17,24,24-Octamethyl-11,13,28-trioxaheptacyclo[19.5.2.01,22.04,21.05,18.08,17.09,14]octacos-19-ene

1 reference

based on heuristic

inferred from SMILES

mass

496.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₂O₃

0 references

canonical SMILES

O1CC2(C)C(OC1(C)C)CCC3(C)C4C=CC56OCC7(CCC(C)(C)CC57)CCC6(C)C4(C)CCC23

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isomeric SMILES

CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@@H]7OC(C)(C)OC[C@@]7(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1

0 references

found in taxon

Buddleja asiatica

1 reference

stated in

Two New Oleanane-type Triterpenoids from Buddleja asiatica

Identifiers

InChI

InChI=1S/C33H52O3/c1-26(2)15-17-32-18-16-31(8)30(7)13-9-22-28(5,12-11-25-29(22,6)20-34-27(3,4)36-25)23(30)10-14-33(31,35-21-32)24(32)19-26/h10,14,22-25H,9,11-13,15-21H2,1-8H3/t22-,23-,24-,25+,28+,29+,30-,31+,32-,33+/m1/s1

0 references

InChIKey

LUKBYRDPGHEQLQ-IJZVGTJISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LUKBYRDPGHEQLQ-IJZVGTJISA-N

(Q105157503)

(1S,4S,5R,8R,9R,14S,17S,18R,21S,22R)-4,5,9,12,12,17,24,24-octamethyl-11,13,28-trioxaheptacyclo[19.5.2.01,22.04,21.05,18.08,17.09,14]octacos-19-ene

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