(Q104253288)

English

(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-3a,3b,6,6,9a-pentamethyl-1-[(2R)-2,6,6-trimethyloxan-2-yl]-dodecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

protostane/dammarane triterpenoid

0 references

mass

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₃

0 references

canonical SMILES

OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C4(C)CCC(C14)C5(OC(C)(C)CCC5)C

0 references

isomeric SMILES

CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1

0 references

found in taxon

Panax ginseng

7 references

stated in

Quantitative Analysis of Dammarane Type Saponins of Ginseng and Its Application to the Evaluation of the Commercial Ginseng Tea and Ginseng Extract

stated in

Determination of panaxadiol and panaxatriol in ginseng and its preparations by capillary supercritical fluid chromatography (SFC).

stated in

Analysis of middle mass peptides by thermospray LC/MS

stated in

Structure of the products of acid hydrolysis of panaxosides D, E, and F

stated in

Rapid hydrolysis of ginseng saponin by microwave oven reaction: Application to ginseng drink preparation

stated in

In vitro induction of differentiation by ginsenoides in F9 teratocarcinoma cells

stated in

Application of High Hydrostatic Pressure and Enzymatic Hydrolysis for the Extraction of Ginsenosides from Fresh Ginseng Root (Panax ginseng C.A. Myer)

Identifiers

InChI

InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1

0 references

InChIKey

PVLHOJXLNBFHDX-XHJPDDKBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

192043

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

PVLHOJXLNBFHDX-XHJPDDKBSA-N

KNApSAcK ID

C00060640

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PVLHOJXLNBFHDX-XHJPDDKBSA-N

UNII

F84BLM3L74

1 reference

matched by identifier from

InChIKey

PVLHOJXLNBFHDX-XHJPDDKBSA-N

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

31 December 2022

InChIKey

PVLHOJXLNBFHDX-XHJPDDKBSA-N

based on heuristic

InChIKey match

(Q104253288)

(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-3a,3b,6,6,9a-pentamethyl-1-[(2R)-2,6,6-trimethyloxan-2-yl]-dodecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol

Statements

Identifiers

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