(Q105222440)

English

(2S,3R,4S,5S)-2-[[(1S,2R,5R,7S,10R,11R,14S,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[16-Hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

604.397518752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₆O₈

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canonical SMILES

OC1COC(OC2CCC3(C)C(CCC4(C)C3CCC5C6C(O)(C)CC(OC76OCC54C7)C=C(C)C)C2(C)C)C(O)C1O

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isomeric SMILES

CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1

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found in taxon

Bacopa monniera

1 reference

stated in

Bacopaside III, bacopasaponin G, and bacopasides A, B, and C from Bacopa monniera

Bacopa monnieri

1 reference

stated in

Bacopaside III, bacopasaponin G, and bacopasides A, B, and C from Bacopa monniera

Identifiers

InChI

InChI=1S/C35H56O8/c1-19(2)14-20-15-33(7,39)28-21-8-9-24-31(5)12-11-25(42-29-27(38)26(37)22(36)16-40-29)30(3,4)23(31)10-13-32(24,6)34(21)17-35(28,43-20)41-18-34/h14,20-29,36-39H,8-13,15-18H2,1-7H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,31-,32+,33-,34-,35-/m0/s1

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InChIKey

QIWKOYIEWRVHRA-PBXNPDPZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105222440)

(2S,3R,4S,5S)-2-[[(1S,2R,5R,7S,10R,11R,14S,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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