(Q105123304)

English

(2R,3R,4S,5S,6R)-2-[[(1R,3aR,5aR,5bR,9S,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,9,11b,12,13,13a,13b-dodecahydrocyclopenta[a]chrysen-9-yl]oxy]-6-(hydroxymethyl)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-[(3a,5a,5b,8,8,11a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,9,11b,12,13,13a,13b-dodecahydrocyclopenta[a]chrysen-9-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

584.407689512 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₆O₆

0 references

canonical SMILES

OCC1OC(OC2C=CC3(C(=CCC4(C)C3CCC5C6C(C(=C)C)CCC6(C)CCC54C)C2(C)C)C)C(O)C(O)C1O

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5=CC[C@]43C)[C@@H]12

0 references

found in taxon

Volkameria inermis

1 reference

stated in

A novel lupene-type triterpenic glucoside from the leaves of Clerodendrum inerme.

Identifiers

InChI

InChI=1S/C36H56O6/c1-20(2)21-11-14-33(5)17-18-35(7)22(27(21)33)9-10-25-34(6)15-13-26(32(3,4)24(34)12-16-36(25,35)8)42-31-30(40)29(39)28(38)23(19-37)41-31/h12-13,15,21-23,25-31,37-40H,1,9-11,14,16-19H2,2-8H3/t21-,22+,23+,25+,26-,27+,28+,29-,30+,31-,33+,34-,35+,36+/m0/s1

0 references

InChIKey

IZMJYIVUYPOQPJ-MCVAKICKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IZMJYIVUYPOQPJ-MCVAKICKSA-N

(Q105123304)

(2R,3R,4S,5S,6R)-2-[[(1R,3aR,5aR,5bR,9S,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,9,11b,12,13,13a,13b-dodecahydrocyclopenta[a]chrysen-9-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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