(Q120355443)

English

(22R,25R)-spirosol-5-en-3beta-ol

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

(9S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-en-16-ol

1 reference

based on heuristic

inferred from SMILES

mass

413.329379616 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₄₃NO₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@H](C)[C@@]6(CCC(C)CN6)O[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

0 references

Identifiers

InChI

InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

KWVISVAMQJWJSZ-DXZIWIJNSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

KWVISVAMQJWJSZ-DXZIWIJNSA-N

SureChEMBL ID

SCHEMBL456187

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KWVISVAMQJWJSZ-DXZIWIJNSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

5 November 2023

InChIKey

KWVISVAMQJWJSZ-DXZIWIJNSA-N

based on heuristic

InChIKey match

(Q120355443)

(22R,25R)-spirosol-5-en-3beta-ol

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