(Q104914403)

English

(1S,2S,4S,6R,7R,8S,9R,12S,13S,16S)-5',5'-bis(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

446.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-5',5'-bis(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₅

0 references

canonical SMILES

OCC1(OC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)CC1)CO

0 references

isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]32C)O[C@@]12CCC(CO)(CO)O2

0 references

found in taxon

Polynesian arrowroot

1 reference

stated in

Isomeric F-ring dihydroxylated 22,25-epoxyfurostene and spirostene sapogenins from Tacca leontopetaloides

Identifiers

InChI

InChI=1S/C27H42O5/c1-16-23-22(31-27(16)11-10-26(14-28,15-29)32-27)13-21-19-5-4-17-12-18(30)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3/t16-,18+,19-,20+,21+,22+,23-,24-,25-,27-/m1/s1

0 references

InChIKey

ALWIMEGFKSOEQI-JVJJTRLFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ALWIMEGFKSOEQI-JVJJTRLFSA-N

(Q104914403)

(1S,2S,4S,6R,7R,8S,9R,12S,13S,16S)-5',5'-bis(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol

Statements

Identifiers

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