(Q105371180)

English

[(1S,2R,3R,5S,7S,10S,11R,14R,15S)-15-[(2S,3S,5R)-5-[(2S)-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-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

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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-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

558.392039448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₆

0 references

canonical SMILES

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

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isomeric SMILES

CC(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

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found in taxon

Owenia acidula

1 reference

stated in

Triterpenoids from Owenia Cepiodora

Identifiers

InChI

InChI=1S/C34H54O6/c1-18(2)27(36)39-25-11-12-31(7)22-10-13-33-17-34(33,32(22,8)24(35)16-23(31)29(25,3)4)14-9-20(33)19-15-21(38-28(19)37)26-30(5,6)40-26/h18-26,28,35,37H,9-17H2,1-8H3/t19-,20-,21+,22+,23+,24+,25-,26-,28-,31+,32-,33+,34+/m0/s1

0 references

InChIKey

ZCJRKMHKQYPKOQ-ZENVQNOUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZCJRKMHKQYPKOQ-ZENVQNOUSA-N

(Q105371180)

[(1S,2R,3R,5S,7S,10S,11R,14R,15S)-15-[(2S,3S,5R)-5-[(2S)-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-methylpropanoate

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Identifiers

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