(Q105331750)

English

(5R,8R,9R,10R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

protostane/dammarane triterpenoid

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mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C(O)(C)CCCC(=C)C)C1(C)C

0 references

isomeric SMILES

C=C(C)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C

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found in taxon

Ailanthus altissima

1 reference

stated in

Triterpenoids and Sterones from the Stem Bark of Ailanthus altissima

Identifiers

InChI

InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h21-24,32H,1,9-19H2,2-8H3/t21-,22+,23+,24-,27+,28-,29-,30-/m1/s1

0 references

InChIKey

XNLBGMPQPCBVJA-SGAOCFLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNLBGMPQPCBVJA-SGAOCFLWSA-N

(Q105331750)

(5R,8R,9R,10R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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