(Q105377851)

English

(2S,3R,4S,5S)-2-[(1S)-1-[(3S,4aR,6aS,10aS,10bS)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-hydroxyethoxy]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Tarapacol-14-O-alpha-L-arabinopyranoside

1 reference

based on heuristic

inferred from SMILES

2-[1-(3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)-2-hydroxyethoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

456.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₄O₇

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canonical SMILES

OCC(OC1OCC(O)C(O)C1O)C2(OC3(C)CCC4C(C)(C)CCCC4(C)C3CC2)C

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isomeric SMILES

CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@](C)([C@H](CO)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@@H]21

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found in taxon

Grindelia integrifolia

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stated in

Manoyl oxide alpha-arabinopyranoside and grindelic acid diterpenoids from Grindelia integrifolia

Identifiers

InChI

InChI=1S/C25H44O7/c1-22(2)9-6-10-23(3)16(22)7-11-24(4)17(23)8-12-25(5,32-24)18(13-26)31-21-20(29)19(28)15(27)14-30-21/h15-21,26-29H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,20+,21-,23-,24+,25-/m0/s1

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InChIKey

ZJERGACWYNGXMG-VLHFAGCXSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105377851)

(2S,3R,4S,5S)-2-[(1S)-1-[(3S,4aR,6aS,10aS,10bS)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-hydroxyethoxy]oxane-3,4,5-triol

Statements

Identifiers

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