(Q105147804)

English

(2S,3R,4S,5R,6R)-2-[[(1S,4S,4aS,8aS)-4-hydroxy-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-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-[(4-hydroxy-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

400.246103492 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₂₁H₃₆O₇

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canonical SMILES

OCC1OC(OC2(C)CCC(O)C3(C)CCC(=C(C)C)CC23)C(O)C(O)C1O

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isomeric SMILES

CC(C)=C1CC[C@]2(C)[C@@H](O)CC[C@](C)(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2C1

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found in taxon

Laggera pterodonta

1 reference

stated in

Eleven New Eudesmane Derivatives fromLaggerapterodonta

Laggera crispata

1 reference

stated in

Eleven New Eudesmane Derivatives fromLaggerapterodonta

Identifiers

InChI

InChI=1S/C21H36O7/c1-11(2)12-5-7-20(3)14(9-12)21(4,8-6-15(20)23)28-19-18(26)17(25)16(24)13(10-22)27-19/h13-19,22-26H,5-10H2,1-4H3/t13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1

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InChIKey

KYNBODYQWKUALW-MPUFAEPPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KYNBODYQWKUALW-MPUFAEPPSA-N

(Q105147804)

(2S,3R,4S,5R,6R)-2-[[(1S,4S,4aS,8aS)-4-hydroxy-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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