(Q113948269)

English

(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,15R,16R,18R,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,18,19-tetrol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

464.3137891279999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

1 reference

C₂₇H₄₄O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@]6([C@@]5(C[C@H]([C@@H](C6)O)O)C)O)O)C)C)OC1

1 reference

based on heuristic

inferred from SMILES

Identifiers

InChI

InChI=1S/C27H44O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20+,21-,22+,23-,24-,25+,26-,27+/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

JASYOPOIUHUBJK-QSCZZMGISA-N

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PubChem CID

52931440

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JASYOPOIUHUBJK-QSCZZMGISA-N

ChEBI ID

186138

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H44O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20+,21-,22+,23-,24-,25+,26-,27+/m0/s1

1 reference

0 references

(Q113948269)

(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,15R,16R,18R,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,18,19-tetrol

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