(Q105383479)

English

[(1S,4S,5R,6R,9S,10R,12R,14R)-4,5-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4,5-Dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

414.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₅

0 references

canonical SMILES

O=C(OC1C(=CC2C(=O)C3(C=C(C)C(O)C13O)C(C)CC4C2C4(C)C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C(C)=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]13O)[C@H](C)C[C@@H]1[C@H]2C1(C)C

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found in taxon

Euphorbia peplus

1 reference

stated in

Diterpenoids from Euphorbia peplus.

Identifiers

InChI

InChI=1S/C25H34O5/c1-8-12(2)22(28)30-21-13(3)9-16-18-17(23(18,6)7)10-15(5)24(20(16)27)11-14(4)19(26)25(21,24)29/h8-9,11,15-19,21,26,29H,10H2,1-7H3/b12-8-/t15-,16+,17-,18+,19+,21-,24+,25-/m1/s1

0 references

InChIKey

ZUBUEIIZXNXBTQ-BRCUDFTOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZUBUEIIZXNXBTQ-BRCUDFTOSA-N

(Q105383479)

[(1S,4S,5R,6R,9S,10R,12R,14R)-4,5-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate

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