(Q104960216)

English

(3S,5R,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-(5-hydroxy-6-methylhept-6-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3bH,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-7-ol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

OC(C(=C)C)CCC(C)C1CCC2(C)C3C(=CCC12C)C4(C)CCC(O)C(C)(C)C4CC3

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isomeric SMILES

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

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found in taxon

Lactuca tatarica

1 reference

stated in

Triterpenoids and Sesquiterpenes from Mulgedium tataricum

Pinus monticola

1 reference

stated in

New Triterpenes from the Bark of Western White Pine (Pinus monticola DOUGL.)

Lactuca pulchella

1 reference

stated in

Triterpenoids and Sesquiterpenes from Mulgedium tataricum

Mulgedium pulchellum

1 reference

stated in

Triterpenoids and Sesquiterpenes from Mulgedium tataricum

Identifiers

InChI

InChI=1S/C30H50O2/c1-19(2)24(31)11-9-20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h14,20-21,23-26,31-32H,1,9-13,15-18H2,2-8H3/t20-,21-,23-,24-,25+,26+,28-,29-,30+/m1/s1

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InChIKey

CISYXFSTZZQVIH-NIYAVATFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CISYXFSTZZQVIH-NIYAVATFSA-N

(Q104960216)

(3S,5R,8S,10S,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

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