(Q104981961)

English

(2S,3R,6S)-6-[(3R,5S,8R,10R,13S,14R,17S)-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-1,2,3-triol

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-methylheptane-1,2,3-triol

1 reference

based on heuristic

inferred from SMILES

mass

490.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₄O₄

0 references

canonical SMILES

OCC(O)(C)C(O)CCC(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)CC[C@@H](O)[C@@](C)(O)CO)CC[C@]4(C)[C@H]3CC[C@@H]2C1(C)C

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found in taxon

Pinus yunnanensis

1 reference

stated in

Three New Terpenoids fromPinus yunnanensis

Identifiers

InChI

InChI=1S/C31H54O4/c1-20(9-12-25(33)31(7,34)19-32)21-13-17-30(6)23-10-11-24-27(2,3)26(35-8)15-16-28(24,4)22(23)14-18-29(21,30)5/h14,20-21,23-26,32-34H,9-13,15-19H2,1-8H3/t20-,21-,23-,24+,25+,26+,28-,29-,30+,31-/m0/s1

0 references

InChIKey

DJCRLFMPSZVYJQ-LEBDCXDWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DJCRLFMPSZVYJQ-LEBDCXDWSA-N

(Q104981961)

(2S,3R,6S)-6-[(3R,5S,8R,10R,13S,14R,17S)-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-1,2,3-triol

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Identifiers

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