(Q105324371)

English

(3Z,4S)-4-hydroxy-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,4S)-4-hydroxy-3-{2-[(1S,3R)-3-{2-[(2S,5'S)-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

(3E)-4-hydroxy-3-[2-[3-[2-(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 SMILES

(3E,4R)-4-hydroxy-3-{2-[(1S,3R)-3-{2-[(2S,5'S)-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

4-Hydroxy-3-[2-[3-[2-(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

518.324353812 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3Z,4R)-4-hydroxy-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3E,4S)-4-hydroxy-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3E,4R)-4-hydroxy-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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₇

0 references

canonical SMILES

O=C1OCC(O)C1=CCC2C(=C)CCC(CCC3COC4(OC5(O)CCC4(OC5(C)C)C)CC3)C2(C)C

0 references

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\C(=O)OC[C@H]1O

0 references

found in taxon

Tricholoma saponaceum

1 reference

stated in

New Triterpenoids from Tricholoma saponaceum

Identifiers

InChI

InChI=1S/C30H46O7/c1-19-7-9-21(26(2,3)23(19)12-11-22-24(31)18-34-25(22)32)10-8-20-13-14-30(35-17-20)28(6)15-16-29(33,37-30)27(4,5)36-28/h11,20-21,23-24,31,33H,1,7-10,12-18H2,2-6H3/b22-11-/t20-,21-,23-,24+,28-,29-,30-/m0/s1

0 references

InChIKey

XBFKDCJZZMKUOR-KWVQPSIZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBFKDCJZZMKUOR-KWVQPSIZSA-N

(Q105324371)

(3Z,4S)-4-hydroxy-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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