(Q104913856)

English

(3S,6R)-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-methylhept-1-en-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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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-methylhept-1-en-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

456.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₂

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canonical SMILES

OC(C(=C)C)CCC(C)C1CCC2(C)C3C(=CCC12C)C4(C)CCC(OC)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](OC)CC[C@]4(C)C3=CC[C@]12C

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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/C31H52O2/c1-20(2)25(32)12-10-21(3)22-14-18-31(8)24-11-13-26-28(4,5)27(33-9)16-17-29(26,6)23(24)15-19-30(22,31)7/h15,21-22,24-27,32H,1,10-14,16-19H2,2-9H3/t21-,22-,24-,25+,26+,27+,29-,30-,31+/m1/s1

0 references

InChIKey

AKTRXEZFQKELHL-YCMPDUMTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AKTRXEZFQKELHL-YCMPDUMTSA-N

(Q104913856)

(3S,6R)-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-methylhept-1-en-3-ol

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Identifiers

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