(Q104960392)

English

(2R,5S)-5-[(3R)-3-[(3S,5R,8S,10S,13R,14S,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-2,4,4-trimethyl-1,3-dioxolane

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-[3-(3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-2,4,4-trimethyl-1,3-dioxolane

1 reference

based on heuristic

inferred from SMILES

mass

500.422945652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₆O₃

0 references

canonical SMILES

O(C)C1CCC2(C3=CCC4(C)C(CCC4(C)C3CCC2C1(C)C)C(C)CCC5OC(OC5(C)C)C)C

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isomeric SMILES

CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H]5O[C@@H](C)OC5(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C

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found in taxon

Pinus monticola

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C33H56O3/c1-21(11-14-28-30(5,6)36-22(2)35-28)23-15-19-33(9)25-12-13-26-29(3,4)27(34-10)17-18-31(26,7)24(25)16-20-32(23,33)8/h16,21-23,25-28H,11-15,17-20H2,1-10H3/t21-,22-,23-,25-,26+,27+,28+,31-,32-,33+/m1/s1

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InChIKey

CIUKPPIQCHNAJV-JTLQOTSTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CIUKPPIQCHNAJV-JTLQOTSTSA-N

(Q104960392)

(2R,5S)-5-[(3R)-3-[(3S,5R,8S,10S,13R,14S,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-2,4,4-trimethyl-1,3-dioxolane

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Identifiers

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