(Q105252170)

English

(3S,5R,6S,8S,10R,13R,14S,16S,17R)-10-(hydroxymethyl)-4,4,13,14-tetramethyl-17-[(2R,4S,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol

chemical compound

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instance of

type of chemical entity

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subclass of

10-(hydroxymethyl)-4,4,13,14-tetramethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol

1 reference

based on heuristic

inferred from SMILES

mass

524.371304004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₇

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canonical SMILES

OCC12C3=CCC4(C)C(C(O)CC4(C)C3CC(O)C2C(C)(C)C(O)CC1)C(C)CC(O)C(O)C(O)(C)C

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isomeric SMILES

C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@]4(CO)C3=CC[C@]12C

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/C30H52O7/c1-16(12-20(33)25(36)27(4,5)37)23-21(34)14-29(7)18-13-19(32)24-26(2,3)22(35)9-11-30(24,15-31)17(18)8-10-28(23,29)6/h8,16,18-25,31-37H,9-15H2,1-7H3/t16-,18-,19+,20+,21+,22+,23+,24+,25+,28-,29+,30+/m1/s1

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InChIKey

SFZRJCMYFASHPU-FIEMCICHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SFZRJCMYFASHPU-FIEMCICHSA-N

(Q105252170)

(3S,5R,6S,8S,10R,13R,14S,16S,17R)-10-(hydroxymethyl)-4,4,13,14-tetramethyl-17-[(2R,4S,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol

Statements

Identifiers

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