(Q105277271)

English

(1R,3S,4S,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-5-en-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

22-(2-Hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-5-en-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₄

0 references

canonical SMILES

OC1CCC23CC43CCC5(C)C6C(C)CC7OC6(OC7C(O)(C)C)CC5(C)C4C=CC2C1(C)C

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isomeric SMILES

C[C@@H]1C[C@H]2O[C@]3(C[C@@]4(C)[C@@H]5C=C[C@H]6C(C)(C)[C@@H](O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O

0 references

found in taxon

Astragalus orbiculatus

1 reference

stated in

Triterpene Glycosides of Astragalus and Their Genins. LXX. Orbicoside, the First Lanostane Glycoside from Astragalus Plants

Identifiers

InChI

InChI=1S/C30H46O4/c1-17-14-18-23(25(4,5)32)34-30(33-18)15-27(7)20-9-8-19-24(2,3)21(31)10-11-28(19)16-29(20,28)13-12-26(27,6)22(17)30/h8-9,17-23,31-32H,10-16H2,1-7H3/t17-,18-,19+,20+,21+,22-,23+,26-,27+,28-,29+,30-/m1/s1

0 references

InChIKey

UQIXZLHORVLZHZ-NXMNUQSJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UQIXZLHORVLZHZ-NXMNUQSJSA-N

(Q105277271)

(1R,3S,4S,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-5-en-9-ol

Statements

Identifiers

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