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Merck
CN

SMB00167

Dactylorhin E

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About This Item

Empirical Formula (Hill Notation):
C27H40O16
CAS Number:
256459-40-2
Molecular Weight:
620.60
UNSPSC Code:
12352205
PubChem Substance ID:
329824837
NACRES:
NA.25

Key Documents

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SMILES string

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@](CC(C)C)(CC(=O)O)C(=O)OCc2ccc(cc2)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO

InChI

1S/C27H40O16/c1-12(2)7-27(8-17(30)31,43-25-23(37)21(35)19(33)16(10-29)42-25)26(38)39-11-13-3-5-14(6-4-13)40-24-22(36)20(34)18(32)15(9-28)41-24/h3-6,12,15-16,18-25,28-29,32-37H,7-11H2,1-2H3,(H,30,31)/t15-,16-,18-,19-,20+,21+,22-,23-,24-,25+,27-/m1/s1

InChI key

ZGNUJHGCJSHIQU-JOOANJHQSA-N

form

solid

application(s)

metabolomics
vitamins, nutraceuticals, and natural products

Related Categories

General description

Natural product derived from plant source.

Hazard Classifications

Aquatic Chronic 3

hcodes

H412

pcodes

P273

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
122228163V
122228-163V

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