(Q105346102)

English

[(1R,3Z,3aS,4R,5S,6R,7aS)-3-ethylidene-1,6-bis[[(2S)-2-methylbutanoyl]oxy]-7-methylidene-4-[(2S)-2-methyloxiran-2-yl]-2-oxo-1,3a,4,5,6,7a-hexahydroinden-5-yl] (Z)-3-methylpent-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

oplopane sesquiterpenoid

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mass

544.303618368 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3aS,4R,5S,6R,7aS)-3-ethylidene-1,6-bis[[(2S)-2-methylbutanoyl]oxy]-7-methylidene-4-[(2S)-2-methyloxiran-2-yl]-2-oxo-1,3a,4,5,6,7a-hexahydroinden-5-yl] (Z)-3-methylpent-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₄O₈

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canonical SMILES

O=C(OC1C(OC(=O)C(C)CC)C(=C)C2C(OC(=O)C(C)CC)C(=O)C(=CC)C2C1C3(OC3)C)C=C(C)CC

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isomeric SMILES

C=C1[C@@H]2[C@H](/C(=C/C)C(=O)[C@@H]2OC(=O)[C@@H](C)CC)[C@@H]([C@@]2(C)CO2)[C@H](OC(=O)/C=C(/C)CC)[C@@H]1OC(=O)[C@@H](C)CC

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found in taxon

Kleinia implexa

1 reference

stated in

Sesquiterpenes from Kleinia species

Identifiers

InChI

InChI=1S/C31H44O8/c1-10-16(5)14-21(32)37-28-24(31(9)15-36-31)23-20(13-4)25(33)27(39-30(35)18(7)12-3)22(23)19(8)26(28)38-29(34)17(6)11-2/h13-14,17-18,22-24,26-28H,8,10-12,15H2,1-7,9H3/b16-14-,20-13-/t17-,18-,22+,23-,24+,26+,27+,28-,31+/m0/s1

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InChIKey

YBXRHCLFEHVDJU-RXHMTKEWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YBXRHCLFEHVDJU-RXHMTKEWSA-N

(Q105346102)

[(1R,3Z,3aS,4R,5S,6R,7aS)-3-ethylidene-1,6-bis[[(2S)-2-methylbutanoyl]oxy]-7-methylidene-4-[(2S)-2-methyloxiran-2-yl]-2-oxo-1,3a,4,5,6,7a-hexahydroinden-5-yl] (Z)-3-methylpent-2-enoate

Statements

Identifiers

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