(Q104987106)

English

(2R,3S,4S,5S,6S)-2-[[(1R,2S,4aR,5R,8S,8aR)-5,8-dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[(5,8-Dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

418.256668176 dalton

1 reference

1 reference

1 reference

C₂₁H₃₈O₈

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canonical SMILES

OCC1OC(OC2C(CCC3(C)C(O)CCC(O)(C)C23)C(C)C)C(O)C(O)C1O

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isomeric SMILES

CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

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found in taxon

Ophiopogon japonicus

1 reference

stated in

cis-Eudesmane sesquiterpene glycosides from Liriope muscari and Ophiopogon japonicus

Identifiers

InChI

InChI=1S/C21H38O8/c1-10(2)11-5-7-20(3)13(23)6-8-21(4,27)18(20)17(11)29-19-16(26)15(25)14(24)12(9-22)28-19/h10-19,22-27H,5-9H2,1-4H3/t11-,12-,13+,14+,15-,16-,17+,18-,19-,20-,21-/m0/s1

0 references

InChIKey

DQRUOTCFENUXKV-RDVSEWCMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQRUOTCFENUXKV-RDVSEWCMSA-N

(Q104987106)

(2R,3S,4S,5S,6S)-2-[[(1R,2S,4aR,5R,8S,8aR)-5,8-dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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