(Q105190305)

English

[(1S,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-heptamethyl-19-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[1,7,7,11,16,20,20-Heptamethyl-19-(3,4,5-trihydroxyoxan-2-yl)oxy-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

616.43390426 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₀O₇

0 references

canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1(C)C)CC4(C)CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC5(C)C4CC3)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)CC3=CC[C@H]2C1(C)C

0 references

found in taxon

Lycopodiella inundata

1 reference

stated in

Lycopodium triterpenoids. 11. The structures of inundoside-A,-B,-C,-D1,-D2,-E,-F, and -G, triterpenoid-glycosides occurring in Lycopodium inundatum L.

Identifiers

InChI

InChI=1S/C37H60O7/c1-21(38)43-28-14-17-36(7)23-10-12-27-35(6,19-22(23)9-11-25(36)33(28,2)3)16-13-26-34(4,5)29(15-18-37(26,27)8)44-32-31(41)30(40)24(39)20-42-32/h9,23-32,39-41H,10-20H2,1-8H3/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,35-,36+,37-/m0/s1

0 references

InChIKey

OEINGQXGTDQMSL-VXHPQQADSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OEINGQXGTDQMSL-VXHPQQADSA-N

(Q105190305)

[(1S,6R,8S,11R,12S,15S,16R,19S,21R)-1,7,7,11,16,20,20-heptamethyl-19-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate

Statements

Identifiers

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