(Q105124190)

English

[(1R,2R,3S,4R,6E,10S)-2-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-hydroxy-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-4-yl 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

384.230059504 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₄

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canonical SMILES

O=C(OC1CC(=CCCC2(OC2C(O)C1C(C)C)C)C)C=CC=3C=CC=CC3

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isomeric SMILES

C/C1=C\CC[C@]2(C)O[C@@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)/C=C/c2ccccc2)C1

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found in taxon

Echinacea purpurea

1 reference

stated in

Structure and Stereochemistry of New Sesquiterpene Esters fromEchinacea purpurea (L.) MOENCH. (Preliminary communication)

Identifiers

InChI

InChI=1S/C24H32O4/c1-16(2)21-19(27-20(25)13-12-18-10-6-5-7-11-18)15-17(3)9-8-14-24(4)23(28-24)22(21)26/h5-7,9-13,16,19,21-23,26H,8,14-15H2,1-4H3/b13-12+,17-9+/t19-,21-,22-,23-,24+/m1/s1

0 references

InChIKey

JBAYXBWJNDAHDZ-DXAOZSIRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JBAYXBWJNDAHDZ-DXAOZSIRSA-N

ChEBI ID

182125

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H32O4/c1-16(2)21-19(27-20(25)13-12-18-10-6-5-7-11-18)15-17(3)9-8-14-24(4)23(28-24)22(21)26/h5-7,9-13,16,19,21-23,26H,8,14-15H2,1-4H3/b13-12+,17-9+/t19-,21-,22-,23-,24+/m1/s1

(Q105124190)

[(1R,2R,3S,4R,6E,10S)-2-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] (E)-3-phenylprop-2-enoate

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Identifiers

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