(Q104945427)

English

(1R,2S,3R,4R,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3,14,16-triol

chemical compound

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instance of

type of chemical entity

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subclass of

5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3,14,16-triol

1 reference

based on heuristic

inferred from SMILES

mass

446.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₂O₅

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3C(O)C5OC6(OCC(C)CC6)C(C)C54)C2(C)C(O)C1

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isomeric SMILES

C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@H](O)[C@H]1[C@@H]3CC=C4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Ophiopogon intermedius

1 reference

stated in

A spirostanol glycoside from the rhizomes of Ophiopogon intermedius

Identifiers

InChI

InChI=1S/C27H42O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-18-6-5-16-11-17(28)12-20(29)26(16,4)19(18)8-9-25(21,22)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15+,17-,18-,19+,20-,21+,22-,23-,24-,25-,26+,27-/m1/s1

0 references

InChIKey

BSUPFYRQXCQGLJ-WMAANUOUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104945427)

(1R,2S,3R,4R,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3,14,16-triol

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Identifiers

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