(Q104667742)

English

(1S,2S,6S,7S,8R,10R,11S,14S,15R,18R,20S)-20-ethoxy-7,8,14,15,19,19-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

20-Ethoxy-7,8,14,15,19,19-hexamethyl-10-(2-methylbut-2-enoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

596.407689512 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₆O₆

0 references

canonical SMILES

O=C(OC1CC(C)C(C)C2C3=CCC4C(C)(CCC5C(C)(C)C6(OCC)OCC54CC6)C3(C)CCC12C(=O)O)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@H](C)[C@H]2C3=CC[C@@H]4[C@]56CC[C@](OCC)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@]21C(=O)O

0 references

found in taxon

Lantana camara

1 reference

stated in

Three New Pentacyclic Triterpenoids from Lantana camara

Identifiers

InChI

InChI=1S/C37H56O6/c1-10-22(3)30(38)43-28-20-23(4)24(5)29-25-12-13-27-34(9,33(25,8)16-18-36(28,29)31(39)40)15-14-26-32(6,7)37(41-11-2)19-17-35(26,27)21-42-37/h10,12,23-24,26-29H,11,13-21H2,1-9H3,(H,39,40)/b22-10-/t23-,24+,26+,27+,28-,29+,33-,34-,35-,36-,37+/m1/s1

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InChIKey

PYAIEKYBXOLIIX-GVDPBLPGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PYAIEKYBXOLIIX-GVDPBLPGSA-N

(Q104667742)

(1S,2S,6S,7S,8R,10R,11S,14S,15R,18R,20S)-20-ethoxy-7,8,14,15,19,19-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid

Statements

Identifiers

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