(Q105330624)

English

[(1S,3Z,3aS,4S,5R,6R,7R,7aS)-3-ethylidene-1,6-bis[[(2R)-2-methylbutanoyl]oxy]-4-[(2S)-2-methyloxiran-2-yl]-2-oxospiro[1,3a,4,5,6,7a-hexahydroindene-7,2'-oxirane]-5-yl] (E,4S)-4-acetyloxy-3-methylpent-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-Ethylidene-1,6-bis(2-methylbutanoyloxy)-4-(2-methyloxiran-2-yl)-2-oxospiro[1,3a,4,5,6,7a-hexahydroindene-7,2'-oxirane]-5-yl] 4-acetyloxy-3-methylpent-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

618.304012292 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₆O₁₁

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canonical SMILES

O=C(OC1C(OC(=O)C(C)CC)C2(OC2)C3C(OC(=O)C(C)CC)C(=O)C(=CC)C3C1C4(OC4)C)C=C(C)C(OC(=O)C)C

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isomeric SMILES

C/C=C1\C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]2[C@@H]1[C@H]([C@@]1(C)CO1)[C@@H](OC(=O)/C=C(\C)[C@H](C)OC(C)=O)[C@@H](OC(=O)[C@H](C)CC)[C@]21CO1

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found in taxon

Rugelia nudicaulis

1 reference

stated in

Four oplopanone and bisabolone derivatives from Rugelia nudicaulis

Identifiers

InChI

InChI=1S/C33H46O11/c1-10-16(4)30(37)43-27-25-23(21(12-3)26(27)36)24(32(9)14-39-32)28(42-22(35)13-18(6)19(7)41-20(8)34)29(33(25)15-40-33)44-31(38)17(5)11-2/h12-13,16-17,19,23-25,27-29H,10-11,14-15H2,1-9H3/b18-13+,21-12-/t16-,17-,19+,23+,24+,25+,27+,28-,29-,32-,33+/m1/s1

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InChIKey

XMBFVDGOXNSTRI-MUCRIGNZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMBFVDGOXNSTRI-MUCRIGNZSA-N

(Q105330624)

[(1S,3Z,3aS,4S,5R,6R,7R,7aS)-3-ethylidene-1,6-bis[[(2R)-2-methylbutanoyl]oxy]-4-[(2S)-2-methyloxiran-2-yl]-2-oxospiro[1,3a,4,5,6,7a-hexahydroindene-7,2'-oxirane]-5-yl] (E,4S)-4-acetyloxy-3-methylpent-2-enoate

Statements

Identifiers

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