(Q105137712)

English

(1R,3S,10S,15S,16R,18S,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol

chemical compound

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type of chemical entity

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subclass of

10,14,14,25,29,29-Hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol

1 reference

based on heuristic

inferred from SMILES

mass

600.417860272 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₄₀H₅₆O₄

0 references

canonical SMILES

OC=1C=C2C(=CC1C(C)C)C3OC4C(OC3C5C2(C)CCCC5(C)C)C6=CC(=C(O)C=C6C7(C)CCCC(C)(C)C47)C(C)C

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isomeric SMILES

CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@@H]21

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found in taxon

Cryptomeria japonica

1 reference

stated in

A new abietane and two dimeric abietane diterpenes from the black heartwood of Cryptomeria japonica

Identifiers

InChI

InChI=1S/C40H56O4/c1-21(2)23-17-25-27(19-29(23)41)39(9)15-11-13-37(5,6)35(39)33-31(25)43-34-32(44-33)26-18-24(22(3)4)30(42)20-28(26)40(10)16-12-14-38(7,8)36(34)40/h17-22,31-36,41-42H,11-16H2,1-10H3/t31-,32-,33-,34-,35-,36-,39+,40+/m0/s1

0 references

InChIKey

JZYNFCPCWFSNOL-AQPRZTTHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JZYNFCPCWFSNOL-AQPRZTTHSA-N

(Q105137712)

(1R,3S,10S,15S,16R,18S,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol

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