(Q105205282)

English

(1R,2S,4S,5'R,6R,7R,8R,9S,12S,13S,15S,16R,18R)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

chemical compound

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instance of

type of chemical entity

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subclass of

(5R,9'S,13'S,16'R)-15',16'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-10'-one

1 reference

based on heuristic

inferred from SMILES

2,3-Dihydroxyspirostan-12-one

1 reference

based on heuristic

inferred from SMILES

mass

446.303224444 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₇H₄₂O₅

0 references

canonical SMILES

O=C1CC2C(CCC3CC(O)C(O)CC32C)C4CC5OC6(OCC(C)CC6)C(C)C5C14C

0 references

isomeric SMILES

C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@H]2C

0 references

found in taxon

Agave ghiesbreghtii

1 reference

stated in

Steroidal sapogenins; biogenesis of the steroidal sapogenins in Agaves, Manfreda and Hesperaloe

Identifiers

InChI

InChI=1S/C27H42O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3/t14-,15-,16-,17-,18+,19+,20-,21+,22+,24+,25+,26-,27-/m1/s1

0 references

InChIKey

PBLXVDNSLUFVHF-ZIUZKCRHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBLXVDNSLUFVHF-ZIUZKCRHSA-N

(Q105205282)

(1R,2S,4S,5'R,6R,7R,8R,9S,12S,13S,15S,16R,18R)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

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