(Q104970636)

English

(2R,3S,4R,5S)-2-[[(1R,2R,3S,4R,7R,9S,12S,14R,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(2S,3R,4S,5R)-2-{[(9S,12R,14S,17R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-9-yl]oxy}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

(2R,3S,4R,5S)-2-[[(1R,2R,3S,4R,7R,9S,12S,14R,17R,18R,19R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-[(2-Hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl)oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

602.381868688 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

25-anhydrocimigenol 3-O-α-L-arabinoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

25-anhydrocimigenol 3-O-β-D-xyloside

1 reference

1 reference

C₃₅H₅₄O₈

0 references

canonical SMILES

OC1COC(OC2CCC34CC54CCC6(C)C7C(C)CC8OC7(OC8C(=C)C)C(O)C6(C)C5CCC3C2(C)C)C(O)C1O

0 references

isomeric SMILES

C=C(C)[C@H]1O[C@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@]24C[C@]25CC[C@H](O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O

0 references

found in taxon

Actaea elata

1 reference

stated in

Constituents of cimicifugae rhizoma II. Isolation and structures of new cycloartenol triterpenoids and related compounds from Cimicifuga foetida L

Identifiers

InChI

InChI=1S/C35H54O8/c1-17(2)26-20-14-18(3)27-31(6)12-13-34-16-33(34)11-10-23(41-28-25(38)24(37)19(36)15-40-28)30(4,5)21(33)8-9-22(34)32(31,7)29(39)35(27,42-20)43-26/h18-29,36-39H,1,8-16H2,2-7H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27-,28-,29-,31-,32-,33+,34-,35-/m1/s1

0 references

InChIKey

CVBALRXHSITZGC-OWURTASWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CVBALRXHSITZGC-OWURTASWSA-N

(Q104970636)

(2R,3S,4R,5S)-2-[[(1R,2R,3S,4R,7R,9S,12S,14R,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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