(Q105349965)

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-methylheptane-2,3-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-{7-methoxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3bH,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl}-2-methylheptane-2,3-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(C)C1CCC2(C)C3C(=CCC12C)C4(C)CCC(OC)C(C)(C)C4CC3)C(O)(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](O)C(C)(C)O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C

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found in taxon

Pinus luchuensis

1 reference

stated in

Triterpene constituents from the stem bark of Pinus luchuensis and their DNA topoisomerase II inhibitory effect

Pinus monticola

1 reference

stated in

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

Pinus yunnanensis

1 reference

stated in

Three New Terpenoids fromPinus yunnanensis

Identifiers

InChI

InChI=1S/C31H54O3/c1-20(10-13-25(32)28(4,5)33)21-14-18-31(8)23-11-12-24-27(2,3)26(34-9)16-17-29(24,6)22(23)15-19-30(21,31)7/h15,20-21,23-26,32-33H,10-14,16-19H2,1-9H3/t20-,21-,23-,24+,25+,26+,29-,30-,31+/m1/s1

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InChIKey

YKYJNGIGJFWUTD-HICJHRPVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YKYJNGIGJFWUTD-HICJHRPVSA-N

(Q105349965)

(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-methylheptane-2,3-diol

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