(Q105223437)

English

(2R,3R,4S,5S,6R)-2-[[6-hydroxy-1,1,4a,10a,10b-pentamethyl-7-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,4,4b,5,6,6a,7,8,9,10,11,12,12a-tetradecahydrochrysen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₇H₆₂O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

618.449554324 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₂O₇

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canonical SMILES

OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C5C(C(=CCC=C(C)C)C)CCCC54C)C2(C)C)C(O)C(O)C1O

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isomeric SMILES

CC(C)=CC/C=C(/C)C1CCCC2(C)C1C(O)CC1C3(C)CCC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CCC12C

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found in taxon

Panax ginseng

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stated in

Profiling and multivariate statistical analysis of Panax ginseng based on ultra-high-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry.

Identifiers

InChI

InChI=1S/C37H62O7/c1-21(2)11-9-12-22(3)23-13-10-16-37(8)29(23)24(39)19-27-35(6)17-15-28(34(4,5)26(35)14-18-36(27,37)7)44-33-32(42)31(41)30(40)25(20-38)43-33/h11-12,23-33,38-42H,9-10,13-20H2,1-8H3/b22-12-/t23?,24?,25-,26?,27?,28?,29?,30-,31+,32-,33+,35?,36?,37?/m1/s1

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InChIKey

QKZVLGNPEUWYDR-VJUCLAPESA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

QKZVLGNPEUWYDR-VJUCLAPESA-N

1 reference

(Q105223437)

(2R,3R,4S,5S,6R)-2-[[6-hydroxy-1,1,4a,10a,10b-pentamethyl-7-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,4,4b,5,6,6a,7,8,9,10,11,12,12a-tetradecahydrochrysen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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