(Q104402854)

English

(3E)-3-[2-[(1S,3R)-3-[2-[(1S,3S,3'S,4S)-1-Hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3Z)-3-[2-[(3R)-3-[2-[(1S,3'S,4S)-1-Hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one

1 reference

1 reference

3-{2-[3-(2-{4-hydroxy-1,5,5-trimethyl-3,6-dioxaspiro[bicyclo[2.2.2]octane-2,2'-oxan]-5'-yl}ethyl)-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene}oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

502.329439192 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3E)-3-[2-[(1S,3R)-3-[2-[(1S,3S,3'R,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₆

0 references

canonical SMILES

O=C1OCCC1=CCC2C(=C)CCC(CCC3COC4(OC5(O)CCC4(OC5(C)C)C)CC3)C2(C)C

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isomeric SMILES

C=C1CC[C@@H](CC[C@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\CCOC1=O

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found in taxon

Tricholoma scalpturatum

1 reference

stated in

The Isolation of a New Isochromanone from Injured Fruit Bodies of Tricholoma scalpturatum.

Tricholoma saponaceum

3 references

stated in

New Triterpenoids from Tricholoma saponaceum

stated in

Fungal metabolites XXVI: The structure of saponaceolides B, C and D, new C-30 terpenoids from Tricholoma saponaceum

stated in

New Triterpenoids from Tricholoma saponaceum

Tricholoma terreum

1 reference

stated in

Applications of two-dimensional NMR in spectral assignments of the cytotoxic triterpene saponaceolide B

Identifiers

InChI

InChI=1S/C30H46O6/c1-20-7-10-23(26(2,3)24(20)12-9-22-14-18-33-25(22)31)11-8-21-13-15-30(34-19-21)28(6)16-17-29(32,36-30)27(4,5)35-28/h9,21,23-24,32H,1,7-8,10-19H2,2-6H3/b22-9+/t21-,23-,24-,28-,29-,30-/m0/s1

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InChIKey

SCWVCRCOVNDPJB-RQKPTXGCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104402854)

(3E)-3-[2-[(1S,3R)-3-[2-[(1S,3S,3'S,4S)-1-Hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one

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Identifiers

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