(Q105193274)

English

[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-15-[(2R,3S,5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[15-[5-(3,3-Dimethyloxiran-2-yl)-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

570.392039448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₄O₆

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC45CC5(CCC4C6CC(OC6O)C7OC7(C)C)C3(C)C(O)CC2C1(C)C)C(=CC)C

0 references

isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H]3OC3(C)C)O[C@H]2O)C1(C)C

0 references

found in taxon

Aglaia crassinervia

1 reference

stated in

Activity-guided isolation of cytotoxic constituents from the bark of Aglaia crassinervia collected in Indonesia

Identifiers

InChI

InChI=1S/C35H54O6/c1-9-19(2)28(37)40-26-12-13-32(7)23-11-14-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)15-10-21(34)20-16-22(39-29(20)38)27-31(5,6)41-27/h9,20-27,29,36,38H,10-18H2,1-8H3/b19-9+/t20-,21-,22+,23+,24-,25+,26-,27+,29+,32+,33-,34+,35+/m0/s1

0 references

InChIKey

OJTIBMZXQHXUNC-PLCBWOSISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OJTIBMZXQHXUNC-PLCBWOSISA-N

(Q105193274)

[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-15-[(2R,3S,5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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