(Q105003118)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

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

1 reference

1 reference

432.323959888 dalton

1 reference

1 reference

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

1 reference

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

1 reference

1 reference

C₂₇H₄₄O₄

0 references

canonical SMILES

OC1CC2CCC3C(CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)CC1O

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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[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/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1

0 references

InChIKey

FWCXELAAYFYCSR-FDUSDVKOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105003118)

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

Statements

Identifiers

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