(Q105213203)

English

(5R,6S)-6-[(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]-2-methylheptane-2,5-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-(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)-2-methylheptane-2,5-diol

1 reference

based on heuristic

inferred from SMILES

mass

474.407295588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₄O₃

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canonical SMILES

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

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isomeric SMILES

CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)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/C31H54O3/c1-20(24(32)14-16-27(2,3)33)21-12-18-31(8)23-10-11-25-28(4,5)26(34-9)15-17-29(25,6)22(23)13-19-30(21,31)7/h13,20-21,23-26,32-33H,10-12,14-19H2,1-9H3/t20-,21+,23+,24+,25-,26-,29+,30+,31-/m0/s1

0 references

InChIKey

PQEZOFBYLSEGJF-MLAYXGBKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PQEZOFBYLSEGJF-MLAYXGBKSA-N

(Q105213203)

(5R,6S)-6-[(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]-2-methylheptane-2,5-diol

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Identifiers

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